data_2lw9_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 2lw9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 p30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -60.92 -28.11 68.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -78.39 -38.37 41.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.123 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.5 t -73.91 -32.73 34.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.083 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -66.22 -49.37 67.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.295 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -63.3 -36.88 85.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.962 0.41 . . . . 0.0 110.143 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.1 -37.26 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.054 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tp -63.75 -41.65 97.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.143 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.14 -39.64 90.79 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.413 ' HB3' ' CG ' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -66.3 -38.72 88.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.632 178.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.78 -37.36 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.478 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -63.81 -50.22 69.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 8.8 pt-20 -59.35 -36.5 75.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' B' ' 71' ' ' GLN . 20.3 mt -72.32 -53.21 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.0 0.429 . . . . 0.0 110.345 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -34.63 70.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.465 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.89 -37.83 76.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.338 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -37.77 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.648 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.66 -37.05 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -66.93 -41.29 87.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.723 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.8 ptp -70.03 -36.67 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.68 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -70.12 -44.32 69.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -39.04 89.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.643 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.95 -41.11 78.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.713 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -42.59 94.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.727 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -47.17 73.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.753 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -32.41 74.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.2 t -59.82 -40.67 89.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -58.4 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.363 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 t 175.51 123.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.43 -25.6 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.493 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.08 -28.97 68.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.202 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 m -50.35 -25.14 3.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.485 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.91 -29.03 64.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.45 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.59 -50.57 64.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.392 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -39.75 93.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.298 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -41.5 92.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.648 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.75 -44.37 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -45.26 95.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.769 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -61.99 -44.08 97.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.744 0.307 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -32.37 67.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -81.87 -34.01 30.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 30.4 t -73.15 -32.85 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.809 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.71 -36.04 82.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.782 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -31.18 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . 0.474 HD11 HG23 ' B' ' 60' ' ' ILE . 36.5 mt -63.6 -33.88 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.59 -38.13 71.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.736 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -69.33 -32.89 72.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.559 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -34.58 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.714 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -59.76 -37.71 79.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.698 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -66.17 -40.54 90.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.693 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -49.38 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.71 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -34.1 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.33 -42.84 61.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.37 -39.76 85.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.602 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.424 ' HB3' HG12 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -61.7 -33.51 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.615 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -69.8 -33.27 72.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.08 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -61.21 -39.06 88.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -32.05 63.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.424 ' HB2' ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -74.19 -41.22 61.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -69.93 -37.63 75.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -32.24 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.755 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -67.45 -46.38 73.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.325 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.407 ' HA ' HD22 ' B' ' 81' ' ' LEU . 2.1 tm-20 -68.48 -36.55 79.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 110.947 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.7 -12.83 60.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 52.8 p -84.15 -44.81 13.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.302 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' B' ' 78' ' ' GLU . 3.3 pp -70.76 -54.83 10.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 0.0 111.044 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.405 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 0.2 OUTLIER -171.69 119.41 0.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.786 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -60.59 -31.65 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.034 0.445 . . . . 0.0 110.114 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.14 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 8.9 p -50.45 -25.06 3.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.792 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 tp -62.41 -28.63 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -59.5 -60.67 3.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.444 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -63.43 -29.1 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.384 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.05 -36.3 81.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -60.21 -42.27 94.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.28 -40.67 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.08 84.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.722 0.296 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -34.82 72.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -75.76 -41.57 52.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.9 t -64.43 -36.41 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.916 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -66.7 -40.41 88.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.801 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -47.62 77.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.165 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.77 -34.62 69.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.336 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.16 -45.61 83.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.265 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -65.5 -42.87 91.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.699 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -34.61 76.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.81 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.19 -41.0 97.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.15 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -61.69 -40.85 96.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -48.39 81.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.602 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' B' ' 71' ' ' GLN . 10.2 mt -66.09 -48.36 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.506 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -59.58 -34.45 72.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.33 179.549 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.441 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -70.29 -33.53 71.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.487 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -51.6 40.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -60.24 -39.9 88.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.098 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' A' ' 17' ' ' ASP . 15.6 ptm180 -70.21 -34.32 72.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 110.167 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 ttp -73.68 -32.86 64.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.54 -47.18 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.577 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -36.66 82.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.694 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.14 -41.23 81.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.777 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.57 -41.55 98.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.711 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -42.18 76.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.709 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.2 -40.5 94.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.635 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -37.14 73.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.418 . . . . 0.0 110.27 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -68.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.261 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 m -166.54 120.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.329 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -54.47 -27.02 34.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.369 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.01 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.645 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.8 m -50.34 -25.01 3.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.694 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.98 -28.21 67.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.421 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -74.47 -54.44 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.732 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -36.85 85.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.73 -40.8 84.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.743 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -69.14 -40.44 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.59 -44.04 97.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.74 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -63.69 -41.78 98.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.711 0.291 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -67.67 -35.51 78.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -80.28 -29.49 38.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.541 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 43.7 t -71.75 -32.75 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.633 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -58.26 -43.67 88.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -27.41 66.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.1 -33.65 63.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.96 -41.64 98.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.653 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -59.91 -36.98 78.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.741 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.28 -34.7 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -60.33 -36.68 78.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.754 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.94 -35.69 64.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -38.4 65.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.781 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -72.98 -41.57 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -68.16 -36.62 79.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.604 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -69.67 -33.87 73.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.404 ' HB3' HG12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -72.71 -34.07 66.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.622 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.408 ' HA ' ' CD1' ' A' ' 15' ' ' ILE . 3.7 tt0 -68.18 -41.05 82.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -58.18 -36.26 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -32.87 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.405 ' CB ' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -78.77 -38.35 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -74.84 -30.67 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -73.44 -32.44 64.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -71.29 -46.69 60.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -63.94 -34.06 77.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -51.17 33.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.636 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -61.66 -28.14 69.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -67.17 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.683 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 174.64 119.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.607 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -28.11 43.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.447 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.54 83.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.78 -25.68 4.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -26.22 62.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.699 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -36.4 78.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.734 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -73.24 -32.47 64.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.659 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.59 -32.08 73.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.762 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -53.68 55.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -66.24 -30.78 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -39.51 66.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.726 0.298 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -59.63 -29.76 68.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.196 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -78.3 -44.72 24.54 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.069 0.462 . . . . 0.0 109.936 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.412 ' CG1' ' CD2' ' B' ' 89' ' ' LEU . 3.8 t -65.19 -35.66 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.17 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.4 -42.47 83.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.964 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.08 -46.88 78.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.2 mm -63.89 -34.08 66.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.226 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -48.7 78.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.17 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -64.4 -40.24 95.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.18 0.514 . . . . 0.0 109.696 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -35.41 79.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.955 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.61 -42.37 95.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.385 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -43.02 99.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.72 -45.39 92.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.402 ' CD1' ' HA ' ' B' ' 71' ' ' GLN . 11.1 mt -69.11 -45.31 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -34.44 76.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.445 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -69.59 -39.07 77.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.444 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 0.2 OUTLIER -71.28 -34.62 70.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.857 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -40.67 74.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -67.76 -42.87 81.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.269 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.444 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 1.9 ptp -68.0 -32.03 72.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.42 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -50.14 71.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.39 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -62.65 -44.1 97.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.675 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -38.71 84.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.668 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -45.21 93.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.31 -37.91 74.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.751 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.88 -34.79 77.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.585 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -41.23 86.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -51.36 68.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.295 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 33' ' ' SER . 1.0 OUTLIER 169.53 123.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.185 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -54.44 -25.96 28.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.7 -32.77 73.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.444 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -50.5 -25.13 3.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.738 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.47 -27.99 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.288 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.92 -46.65 74.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.372 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.79 -40.72 83.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.298 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -36.76 76.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.604 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -39.94 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -66.29 -45.03 81.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.967 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -64.91 -37.24 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 56.7 t30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.739 0.304 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -32.51 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -81.75 -31.59 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.502 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 26.4 t -72.15 -32.7 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.86 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -72.06 -31.56 66.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.59 -41.92 92.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.8 mt -60.47 -33.41 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 tp -59.39 -37.12 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.493 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -35.3 80.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.161 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.8 -34.21 77.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.356 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.401 ' HA ' HG22 ' B' ' 67' ' ' ILE . 8.8 tt0 -55.86 -35.96 67.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.821 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -31.7 72.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -49.44 30.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.401 HG22 ' HA ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -69.09 -37.12 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.407 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -68.03 -41.73 81.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.552 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -69.62 -32.85 71.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.018 0.437 . . . . 0.0 110.464 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.73 -34.68 67.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.624 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.402 ' HA ' ' CD1' ' A' ' 15' ' ' ILE . 22.2 tt0 -70.77 -29.15 65.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 -64.49 -38.81 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 1.3 ttt -73.81 -34.55 64.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.402 ' CB ' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -75.28 -39.09 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.68 -38.74 62.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -70.65 -32.37 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -71.81 -46.7 57.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -69.36 -37.13 77.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.372 . . . . 0.0 110.738 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 tt -67.95 -40.53 83.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.641 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 45.4 t -68.99 -30.45 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.505 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.684 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.01 119.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.685 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -28.56 48.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.932 0.396 . . . . 0.0 110.435 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.31 -32.95 74.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.939 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 73.4 m -50.62 -25.18 3.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.764 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.85 -27.83 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -65.9 -46.42 78.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -28.43 66.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.751 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.412 ' CD2' ' CG1' ' A' ' 5' ' ' VAL . 21.0 mt -67.36 -31.51 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.06 -43.06 86.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.43 -43.19 97.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -73.28 -33.93 65.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.3 t30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.318 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.85 -39.46 90.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.81 -42.03 58.85 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -63.47 -41.04 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.245 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.31 -41.88 98.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.937 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -42.93 80.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.414 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' B' ' 77' ' ' GLN . 4.7 mm -63.7 -41.11 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -41.46 75.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.321 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -63.32 -46.35 87.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.164 0.507 . . . . 0.0 109.695 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.27 -34.59 76.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.687 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.79 -42.38 93.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.016 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HA ' ' HG2' ' A' ' 16' ' ' GLU . 31.4 mttp -62.89 -42.08 99.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.091 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.9 -39.48 93.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.872 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.419 HG12 ' CB ' ' B' ' 70' ' ' LEU . 6.2 mt -70.93 -48.21 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.823 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -66.56 -33.85 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.811 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 40.7 t0 -68.28 -43.68 77.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.84 0.352 . . . . 0.0 110.505 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.49 -35.25 80.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -48.54 78.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.519 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -66.52 -34.16 77.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.536 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -44.03 88.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.784 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.73 -49.92 74.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -65.0 -42.26 94.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -68.93 -32.44 72.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.726 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -71.23 -46.57 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.39 -37.33 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.688 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -41.59 97.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.554 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -58.69 -32.95 69.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.971 0.415 . . . . 0.0 110.346 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 -54.91 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.338 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.64 119.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.496 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.87 -28.9 53.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.36 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.58 69.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.0 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.6 m -50.76 -24.92 3.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.21 -29.31 70.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.93 18.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -63.02 -39.77 95.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.443 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.29 -41.91 98.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.809 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.53 -40.43 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.32 -40.0 95.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -46.28 88.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.673 0.273 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -64.78 -34.81 79.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -80.62 -32.87 36.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.429 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.7 t -70.33 -32.67 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.806 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.79 -34.72 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.683 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.48 -32.8 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . 0.435 HG22 HD13 ' B' ' 60' ' ' ILE . 39.1 mm -63.68 -34.05 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.772 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.12 -39.12 92.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -36.55 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.44 -34.38 77.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.683 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -55.69 -35.96 66.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -31.2 72.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.631 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -71.85 -49.07 41.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.747 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -35.12 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -68.12 -38.82 82.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.706 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.79 -46.95 88.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.681 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.419 ' CB ' HG12 ' A' ' 15' ' ' ILE . 1.5 mt -62.43 -33.59 75.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.05 -50.79 64.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -43.99 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -32.07 73.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.601 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -50.81 44.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.071 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.52 -37.08 85.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -34.2 72.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.103 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.406 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -74.03 -46.33 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.976 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.417 ' HA ' ' CD2' ' B' ' 81' ' ' LEU . 1.5 tt0 -64.86 -29.21 70.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.88 -24.53 41.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.664 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.31 -44.2 46.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' B' ' 78' ' ' GLU . 2.7 pp -67.1 -48.07 69.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 176.31 119.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.947 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -59.72 -29.49 68.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.338 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.33 -30.91 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 70.4 m -50.53 -25.3 3.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.94 -32.42 71.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -31.5 59.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -31.58 71.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.83 -42.75 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -49.33 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.035 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.67 -32.58 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.025 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -41.04 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.141 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.83 0.347 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -28.17 66.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -75.64 -41.17 54.88 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 t -64.88 -37.84 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.135 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.46 -42.03 92.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.072 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -44.76 84.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.482 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mm -64.5 -36.66 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.704 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -45.61 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.331 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tpp85 -62.33 -44.82 95.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.122 0.486 . . . . 0.0 109.7 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -35.51 79.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.766 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.19 -45.34 91.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.279 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -39.76 92.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.156 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.17 -43.62 92.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.472 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.449 HG12 ' HB3' ' B' ' 70' ' ' LEU . 38.8 mt -73.47 -38.14 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.311 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -39.28 93.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.88 -38.83 76.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.426 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -33.97 70.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.588 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -71.51 -46.6 59.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.752 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -65.29 -34.36 78.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.656 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 ttp -67.4 -42.32 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.727 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.99 -47.86 84.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.742 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -66.6 -38.6 87.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -69.18 -36.39 77.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -66.8 -43.09 84.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -44.54 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.27 -32.87 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.741 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 p -57.12 -36.84 71.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.49 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.89 -54.43 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.333 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 174.42 121.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.364 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -54.51 -29.03 49.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 -28.96 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.778 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.1 m -50.08 -25.09 3.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.685 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.54 -27.48 64.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -65.83 -40.98 92.3 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.717 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -65.02 -48.51 73.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.602 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.08 -39.51 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.1 -39.03 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -34.67 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -31.73 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -61.09 -32.31 71.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -81.95 -35.47 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.39 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 28.5 t -74.64 -32.91 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.866 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -33.26 75.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.763 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.55 -35.04 75.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.89 -37.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.798 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.34 -46.96 88.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 ttt-85 -61.39 -32.8 72.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.417 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.8 -34.52 78.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.556 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.19 -35.82 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.734 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -58.77 -34.76 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -32.06 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.727 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mm -75.0 -44.69 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -68.17 -36.94 80.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.683 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.49 -43.39 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.449 ' HB3' HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -68.34 -39.46 81.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.437 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.417 ' HA ' ' CD1' ' A' ' 15' ' ' ILE . 3.6 tt0 -64.53 -42.54 95.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -38.6 71.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 6.5 ttt -74.07 -31.99 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.739 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -41.72 70.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -69.33 -43.51 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -65.44 -32.31 73.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -72.63 -46.57 53.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.321 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.419 ' HA ' ' CD2' ' B' ' 81' ' ' LEU . 0.6 OUTLIER -68.33 -29.08 67.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tp -80.77 -20.82 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.821 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.81 -43.05 31.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' B' ' 78' ' ' GLU . 2.0 pp -63.98 -49.73 71.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.732 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 175.47 119.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -29.26 61.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.47 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -29.21 68.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.949 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.402 ' CB ' ' CD1' ' B' ' 81' ' ' LEU . 60.2 p -50.57 -25.28 3.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.653 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.09 -30.26 70.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.528 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -72.48 -60.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.535 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -59.89 -30.5 69.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.628 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 9.0 tt -64.97 -41.24 95.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.9 -42.35 94.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.46 -31.04 67.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.16 80.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.769 0.319 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -28.79 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -77.99 -43.0 30.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.082 0.467 . . . . 0.0 109.887 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.407 ' CG1' ' CD2' ' B' ' 89' ' ' LEU . 2.8 t -68.21 -34.13 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.079 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -43.96 82.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.826 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -40.1 85.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.206 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.443 HG22 ' HD2' ' B' ' 74' ' ' LYS . 22.6 mm -62.22 -42.3 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.501 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -52.47 65.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.105 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 ttm-85 -58.29 -38.44 77.05 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.434 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -65.07 -37.27 86.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.601 178.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -43.18 82.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.956 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -64.96 -40.73 95.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.065 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.84 -47.58 82.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.442 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.433 ' CD1' ' HD3' ' B' ' 74' ' ' LYS . 19.4 mt -65.4 -49.52 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -35.19 74.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.464 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.51 -39.47 88.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.434 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.24 -39.81 95.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.531 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -47.3 84.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.738 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -59.97 -43.82 94.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.599 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.53 -32.54 74.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -52.6 55.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.67 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -33.49 74.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -68.67 -34.82 76.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.729 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -38.48 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.636 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -43.81 61.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -66.99 -34.86 78.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.653 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -59.0 -36.8 75.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.156 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.87 -69.25 0.38 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.287 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 m -166.88 122.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.263 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.38 -26.31 29.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.415 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.46 -28.97 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.93 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.9 m -50.11 -25.03 3.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.75 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.59 -26.79 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.557 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -68.73 -44.24 74.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.704 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -68.29 -42.87 78.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.228 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -38.33 76.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.821 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -70.23 -49.82 46.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -31.83 73.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -67.88 -43.58 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.828 0.347 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -30.29 71.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -82.0 -34.68 29.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.568 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 11.7 t -72.97 -32.94 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.826 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.78 -37.89 88.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.586 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.75 -31.34 72.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 20.7 mt -62.36 -33.54 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.79 -44.73 86.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -62.2 -32.98 73.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.613 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.03 -34.73 78.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.622 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -58.7 -35.96 73.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.691 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -66.56 -34.41 77.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -49.45 52.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -39.98 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.85 -42.38 97.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.378 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -69.66 -32.94 71.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.417 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.415 ' CD2' ' CD2' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -70.66 -36.36 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.533 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -74.61 -35.05 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -35.1 78.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 19.1 ptm -73.82 -35.57 64.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.443 ' HD2' HG22 ' A' ' 8' ' ' ILE . 5.2 ttpp -73.51 -43.05 60.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.767 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.36 -34.54 77.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.88 -32.27 59.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -70.74 -41.36 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -68.89 -43.23 75.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -38.76 92.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.7 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 t -70.84 -29.92 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -66.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.652 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 176.65 119.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.743 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -54.84 -28.19 47.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -32.22 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.058 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 62.0 m -50.63 -25.18 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.769 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.58 -28.66 69.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.708 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -74.73 -30.72 61.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.761 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -76.33 -35.15 58.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.407 ' CD2' ' CG1' ' A' ' 5' ' ' VAL . 90.3 mt -67.08 -36.81 82.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.734 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -59.23 -39.04 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.94 -36.12 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -77.3 -35.83 54.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.658 0.266 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -65.85 -30.4 71.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.026 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.443 ' HB3' ' CD1' ' B' ' 81' ' ' LEU . 61.2 mt-30 -79.91 -48.47 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.041 0.448 . . . . 0.0 109.81 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.8 t -65.39 -33.01 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.011 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.56 -41.46 75.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.894 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.01 -42.52 85.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.212 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.9 mm -67.78 -36.86 77.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.98 -42.49 90.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.195 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -65.51 -44.74 86.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.412 ' CD2' HD21 ' B' ' 70' ' ' LEU . 0.3 OUTLIER -62.32 -34.51 76.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.699 178.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -60.34 -46.59 89.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.089 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -59.94 -41.07 91.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.355 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.46 -49.43 77.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.661 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.39 -41.93 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -38.07 84.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.333 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.9 -33.22 71.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.293 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -38.48 67.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.655 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -67.92 -45.13 75.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.71 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -39.48 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.689 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 tpp -64.2 -39.44 93.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.803 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -67.11 -45.83 76.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.786 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.3 -41.88 96.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -35.17 79.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.727 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -66.31 -45.62 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -45.11 78.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.34 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.734 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.52 -40.99 88.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.7 -55.58 10.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.631 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 t 176.9 125.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.462 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.42 -25.72 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.522 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.02 -28.91 68.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.004 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 m -50.27 -25.1 3.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.601 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.32 -29.63 66.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -70.34 -53.22 17.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.484 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -67.57 -34.76 77.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.517 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.97 -33.2 75.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -46.83 57.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.72 -33.97 74.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -36.07 58.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 24.0 p30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.796 0.331 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -63.11 -37.59 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -79.51 -29.54 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.42 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 40.1 t -72.28 -33.03 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.83 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.54 -37.71 82.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.699 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -31.26 71.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 38.8 mm -60.55 -44.66 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.7 mt -59.68 -35.34 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.605 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -36.7 81.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.497 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.72 -34.41 77.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.499 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.44 -37.05 69.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.792 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -62.68 -31.49 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.53 -48.67 31.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.458 HG13 ' N ' ' B' ' 68' ' ' GLU . 1.0 OUTLIER -65.68 -33.56 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.762 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.458 ' N ' HG13 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -68.7 -47.63 65.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.613 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.42 -39.19 86.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.35 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.412 HD21 ' CD2' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -72.9 -31.15 64.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.538 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.8 -28.67 58.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -68.92 -45.39 70.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.2 ttm -68.11 -31.94 71.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.402 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -72.55 -44.75 61.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.115 -179.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -71.03 -37.29 72.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.063 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -32.3 70.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.779 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -69.03 -46.74 67.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -38.38 88.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.609 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -45.11 91.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.578 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -61.57 -25.38 67.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -69.37 -71.75 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.519 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -178.67 120.67 0.08 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.46 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -27.73 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.434 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.36 -31.23 71.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.832 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 66.4 p -50.48 -25.31 3.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.588 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.572 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.92 -57.84 6.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.545 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -66.77 -31.66 72.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.96 -32.96 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.755 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -66.84 -34.52 77.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -61.65 -40.7 95.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -68.8 -41.97 77.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.81 0.338 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -27.96 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -78.55 -45.12 22.56 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.946 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 t -65.46 -36.68 78.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.021 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.08 -42.38 89.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.931 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.4 -43.45 83.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.342 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mm -67.74 -34.91 70.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.511 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.47 -42.82 96.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.236 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -44.83 90.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.327 0.584 . . . . 0.0 109.427 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -34.62 77.0 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.738 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.09 -42.38 98.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.946 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -62.78 -39.2 93.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.179 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.25 -43.88 95.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.582 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.413 ' CD1' ' HB2' ' B' ' 74' ' ' LYS . 21.9 mt -72.47 -42.22 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.397 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -36.03 82.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.284 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.89 -39.21 76.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.336 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -45.07 83.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.541 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.35 -45.82 89.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.624 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -65.62 -43.21 90.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.709 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.658 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' CG ' HG23 ' B' ' 60' ' ' ILE . 23.0 ttpp -70.27 -41.4 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -68.41 -38.56 81.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -37.34 84.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.767 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -68.11 -46.63 70.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.05 -36.56 83.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.717 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.52 -34.29 73.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -32.51 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.632 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -71.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.542 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -166.08 123.07 1.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.541 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -28.59 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.118 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.6 -29.15 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.774 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 m -50.35 -25.08 3.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.807 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.96 -29.59 68.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.434 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -57.66 3.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -31.4 72.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.447 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.4 ' HG ' ' CG ' ' B' ' 61' ' ' LEU . 5.5 tt -67.62 -43.26 80.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -71.63 -39.91 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -46.66 88.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -48.05 80.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.753 0.311 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -29.39 69.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -81.87 -31.62 31.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.684 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 26.1 t -72.45 -32.86 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.82 -35.41 81.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -39.23 79.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . 0.43 HD12 HG22 ' B' ' 60' ' ' ILE . 40.3 mm -63.15 -39.92 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.4 ' CG ' ' HG ' ' A' ' 37' ' ' LEU . 21.2 mt -58.18 -34.91 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -40.24 93.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.421 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.77 -34.43 76.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.347 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.11 -36.0 70.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.778 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -61.47 -35.06 76.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -73.82 -39.16 64.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.466 HG13 ' N ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -71.53 -33.82 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.328 -179.574 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.466 ' N ' HG13 ' B' ' 67' ' ' ILE . 12.5 pt-20 -74.53 -41.83 59.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -65.52 -33.06 75.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.402 ' HB3' HG12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -72.75 -33.8 66.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.716 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.409 ' HA ' ' CD1' ' A' ' 15' ' ' ILE . 3.2 tt0 -67.66 -35.9 79.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.061 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -58.48 -40.89 83.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.8 ttp -73.97 -32.13 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.272 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.413 ' HB2' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -75.39 -35.29 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.987 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -43.36 55.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.794 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -68.8 -32.29 71.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -68.32 -46.64 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.401 ' HA ' ' CD2' ' B' ' 81' ' ' LEU . 4.6 tm-20 -69.46 -31.73 70.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.91 0.386 . . . . 0.0 110.763 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 mp -80.02 -21.6 43.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.634 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 29.6 t -77.84 -43.59 29.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' B' ' 78' ' ' GLU . 2.7 pp -63.68 -47.43 81.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.831 0.348 . . . . 0.0 110.752 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 172.08 119.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.791 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -58.05 -29.86 65.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.343 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -32.07 72.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.003 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 57.8 m -50.71 -25.0 3.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 tp -65.28 -29.61 70.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.597 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -61.1 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.274 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -29.65 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.306 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.27 -37.27 86.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.773 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -32.09 73.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.96 -40.2 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -62.76 -49.48 74.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.885 0.374 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -29.9 71.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -78.51 -46.19 20.18 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 109.791 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -64.52 -35.7 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.946 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.42 -39.61 85.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.758 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.41 -48.75 76.3 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.154 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.401 HG23 ' CD ' ' B' ' 74' ' ' LYS . 21.1 mm -63.16 -35.37 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.349 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.42 -44.94 80.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.11 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -42.34 95.78 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -62.4 -34.68 77.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.872 178.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.77 -45.95 91.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.19 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -40.36 88.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.343 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.89 -49.45 77.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.677 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.414 HD11 ' HA ' ' B' ' 71' ' ' GLN . 3.5 mt -66.1 -42.88 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.056 0.455 . . . . 0.0 110.456 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.97 -41.24 96.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.367 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -39.0 76.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.251 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' B' ' 67' ' ' ILE . 0.4 OUTLIER -60.45 -43.53 96.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.509 179.655 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.87 -39.85 91.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.621 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -60.3 -41.49 93.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.567 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.8 mtm -65.27 -41.36 94.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -66.24 -44.04 84.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.802 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -39.56 80.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.737 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.15 -40.55 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -63.99 -38.01 89.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -48.52 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.81 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.77 -31.94 71.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.729 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.49 -37.85 73.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.397 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -55.93 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.384 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.03 122.87 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.303 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.26 -29.22 46.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.011 0.434 . . . . 0.0 110.032 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.75 -29.12 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.729 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.3 m -50.43 -25.04 3.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.614 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.7 -27.14 64.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.433 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -72.96 -53.72 10.51 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.675 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -32.1 73.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.1 -41.54 77.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -66.89 -50.01 63.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.65 -35.87 77.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -41.7 93.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.754 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.911 0.386 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.74 -31.94 67.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -80.54 -31.79 36.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.443 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.3 t -68.19 -32.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.631 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.54 -35.97 82.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -31.34 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.816 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.0 mm -59.62 -34.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.72 -41.08 90.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -42.22 98.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.498 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.65 -34.67 78.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -57.92 -38.92 76.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.668 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -71.13 -36.17 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.609 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.23 -40.05 96.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.572 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.524 HG13 ' N ' ' B' ' 68' ' ' GLU . 5.7 pt -73.56 -33.61 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.788 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.524 ' N ' HG13 ' B' ' 67' ' ' ILE . 3.2 mt-10 -72.03 -42.8 65.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.57 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.62 -40.9 89.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.0 110.409 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.94 -28.16 62.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.499 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.414 ' HA ' HD11 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -74.3 -31.9 62.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -44.76 92.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 7.1 ttm -68.11 -32.04 72.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.778 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.407 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -72.84 -47.05 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.007 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.33 -35.08 71.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -71.67 -32.46 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -72.69 -46.56 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -66.79 -32.86 74.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.736 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.43 -47.96 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 57.5 p -62.78 -29.48 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -66.01 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.695 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 174.88 119.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.543 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -29.82 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.314 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.44 83.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.894 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 58.6 m -50.83 -25.6 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.646 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.15 -29.15 69.39 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.444 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -52.35 60.72 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -68.1 -30.5 69.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.212 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.56 -34.88 79.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.674 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -35.66 77.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.87 -44.37 93.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -31.67 65.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.629 0.252 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 6' ' ' GLU . 6.0 tmtt? -70.49 -38.58 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -38.37 62.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.57 -44.91 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.71 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 3' ' ' LYS . 11.1 pt-20 -61.11 -39.3 89.47 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -48.93 77.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.885 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mm -60.26 -37.1 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.168 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.58 -40.58 87.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.149 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -46.26 90.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.494 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -62.14 -37.48 85.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.846 178.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -59.34 -40.88 87.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.547 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -64.76 -46.72 80.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.435 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.65 -41.72 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.1 mt -67.5 -49.58 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -61.08 -34.48 74.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.369 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.26 -44.15 92.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.43 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.15 -40.98 91.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.545 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -62.67 -46.09 89.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -60.29 -45.75 92.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.3 mtm -64.42 -39.44 93.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -68.84 -45.4 71.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.7 -38.4 86.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.32 -32.31 72.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -42.76 65.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.45 -38.21 89.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.9 mt -60.37 -30.23 69.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.737 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -54.76 -39.75 68.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.377 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.41 -57.2 4.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.331 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 167.52 125.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.085 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -25.87 26.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.86 0.362 . . . . 0.0 110.388 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.75 -31.44 71.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 m -50.51 -25.22 3.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.57 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 9.6 mt -60.29 -27.01 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.727 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -53.07 61.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.001 0.429 . . . . 0.0 109.9 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.04 -31.65 70.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.799 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HG ' ' CD1' ' B' ' 61' ' ' LEU . 4.3 tt -63.91 -38.94 92.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.8 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -50.6 31.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -33.86 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -47.26 61.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.771 0.319 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -57.4 -33.73 68.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -81.83 -32.29 31.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 46.0 t -74.28 -32.76 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.774 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -71.01 -35.57 72.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.54 -36.39 76.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 60' ' ' ILE . 44.0 mm -66.61 -42.23 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.048 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.407 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 6.3 mt -59.33 -34.33 72.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -59.43 -33.5 71.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.362 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.38 -34.25 75.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.35 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.411 ' HA ' HG22 ' B' ' 67' ' ' ILE . 21.1 tt0 -55.89 -35.76 66.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -38.49 86.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -69.36 -49.41 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.411 HG22 ' HA ' ' B' ' 64' ' ' GLU . 7.8 tt -66.0 -34.02 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.64 -39.54 94.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -66.61 -41.0 89.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.787 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -29.39 63.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -40.24 68.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -43.06 99.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 22.7 ttm -67.41 -32.08 72.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.494 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.64 -47.91 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.98 -36.26 81.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.082 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -70.22 -32.73 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -73.95 -46.75 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.408 ' HA ' ' CD2' ' B' ' 81' ' ' LEU . 10.1 tm-20 -68.23 -31.36 70.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.786 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tt -78.16 -21.37 50.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.4 t -79.51 -46.93 16.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' B' ' 78' ' ' GLU . 1.8 pp -63.96 -55.13 24.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 177.12 119.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -26.83 62.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.736 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.22 -33.17 74.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 19.5 m -50.7 -25.11 3.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 tp -65.56 -29.17 69.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.712 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -72.59 -35.85 68.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.762 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.25 -30.53 68.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.777 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.7 -33.54 75.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -61.82 -52.22 65.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -31.29 72.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -39.29 33.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.75 0.309 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -28.29 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.411 ' CB ' HD22 ' B' ' 81' ' ' LEU . 22.1 mm-40 -78.35 -38.61 41.6 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.087 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.8 t -70.58 -33.08 51.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.078 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.36 -53.59 34.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.162 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.84 -32.44 70.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.155 0.502 . . . . 0.0 110.1 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.465 HG22 ' HG2' ' B' ' 78' ' ' GLU . 1.3 mp -65.79 -48.04 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.25 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.449 ' CD1' ' HG ' ' B' ' 89' ' ' LEU . 1.1 mp -57.22 -40.67 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -48.55 81.26 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.197 0.522 . . . . 0.0 109.759 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -34.41 76.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.662 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -44.05 86.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.03 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.21 -43.72 98.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.955 179.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -44.45 83.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.376 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.416 ' CG1' ' HB3' ' B' ' 70' ' ' LEU . 5.0 mt -71.53 -38.02 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.691 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.15 -36.0 81.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.42 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -42.0 74.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.663 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.0 -40.66 71.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.773 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -68.31 -34.51 76.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -68.62 -45.87 70.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.1 ptp -63.35 -37.48 87.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -64.02 -46.62 83.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.2 -39.69 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -37.69 78.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -66.61 -41.12 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -45.01 77.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.7 -38.23 87.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.691 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -57.71 -32.72 67.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.659 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.9 -56.76 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.442 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.51 121.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.341 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.52 -29.31 50.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.949 0.404 . . . . 0.0 110.172 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.19 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.845 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.0 m -50.59 -25.04 3.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.606 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -58.5 -28.17 65.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.424 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -46.57 71.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.604 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -36.9 76.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.64 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tt -66.61 -37.74 85.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.844 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -40.61 69.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.48 -36.01 81.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -79.28 -31.05 43.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -36.24 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -81.12 -32.63 33.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 26.3 t -74.0 -32.81 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.774 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -36.32 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.76 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.68 -31.63 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mm -60.94 -33.52 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.776 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.29 -45.4 94.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.679 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.42 96.95 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.689 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.34 -34.56 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.72 -35.93 73.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -48.44 80.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -49.21 78.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.506 HD13 HG22 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -67.69 -34.49 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.1 -34.48 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.682 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -62.37 -50.02 73.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.719 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.416 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 1.4 mt -64.17 -39.51 94.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.696 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -39.49 94.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -47.61 81.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 4.1 ptp -67.1 -32.14 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.479 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -49.92 66.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.506 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.12 -48.83 77.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.08 -32.06 73.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.4 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -63.68 -46.75 84.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.708 -179.599 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -74.12 -36.45 64.2 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.597 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 tt -74.32 -17.5 60.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m -81.12 -46.54 14.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.2 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 78' ' ' GLU . 1.2 pp -65.83 -58.07 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.963 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' B' ' 81' ' ' LEU . 7.1 t 179.04 121.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.865 0.364 . . . . 0.0 110.775 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.78 -25.61 29.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.07 -30.78 70.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.599 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.57 -25.36 4.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.948 0.404 . . . . 0.0 110.497 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.59 -29.19 64.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.401 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -70.34 -61.64 1.69 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.421 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -62.45 -30.41 71.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.405 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.449 ' HG ' ' CD1' ' A' ' 9' ' ' LEU . 9.9 tt -65.05 -36.44 84.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.895 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -30.86 70.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -33.08 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -77.01 -31.84 56.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.606 0.241 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -64.02 -31.41 72.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.76 0.314 . . . . 0.0 111.169 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -79.99 -44.27 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.078 0.466 . . . . 0.0 110.039 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.6 t -65.82 -35.31 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.096 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.35 -40.05 74.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.008 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -56.3 -46.75 79.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.341 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.402 ' CG2' ' HD2' ' B' ' 74' ' ' LYS . 6.0 mm -64.32 -40.34 88.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.464 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.28 -44.82 80.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.881 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -41.33 94.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' CD2' ' CD2' ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.62 -37.12 85.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.373 178.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 15' ' ' ILE . 2.9 tt0 -57.88 -42.65 85.04 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.854 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -32.99 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.586 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.72 -47.16 64.1 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.796 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' B' ' 70' ' ' LEU . 12.8 pt -67.71 -35.68 73.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.959 0.409 . . . . 0.0 110.537 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -45.49 71.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -40.49 94.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.249 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.422 ' HB3' ' CD1' ' B' ' 67' ' ' ILE . 0.2 OUTLIER -69.64 -36.35 76.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.39 179.593 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -73.02 -36.13 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.643 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -66.89 -37.63 84.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.616 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.4 ptp -73.75 -33.19 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.425 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -72.47 -46.62 54.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.731 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -38.06 85.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.765 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -66.87 -37.89 85.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -66.15 -45.43 81.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.654 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -68.55 -45.41 72.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.77 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.47 -32.6 74.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.52 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -59.53 -39.23 83.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.467 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.67 -49.04 67.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.417 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 173.8 121.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.348 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -54.6 -28.77 48.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.964 0.411 . . . . 0.0 110.097 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.5 -28.99 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.813 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.5 m -50.31 -24.98 3.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.744 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.88 -29.22 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.368 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -52.75 15.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.484 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -64.36 -37.02 86.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.38 -40.58 93.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.832 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -50.9 70.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -62.68 -36.55 83.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.808 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -65.24 -31.72 73.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.811 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.744 0.307 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -38.49 80.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -80.14 -29.2 38.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.46 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 46.2 t -74.43 -32.83 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.793 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.18 -32.63 73.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.777 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.31 -31.55 72.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 22.9 mm -65.08 -40.67 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.9 -44.84 91.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -61.5 -34.8 76.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 110.27 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -34.5 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.329 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -57.3 -35.97 70.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.61 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -55.55 -35.01 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.59 -37.08 65.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.712 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.422 ' CD1' ' HB3' ' A' ' 18' ' ' LEU . 1.1 mm -76.14 -33.94 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.324 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.34 -43.07 74.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.486 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.49 -33.04 72.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.428 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -71.49 -43.16 67.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.433 179.589 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.4 -44.14 97.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.811 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -47.47 86.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.798 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 1.7 tpp -65.16 -32.01 73.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.332 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.402 ' HD2' ' CG2' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -68.02 -52.42 35.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.833 179.767 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.66 -40.65 95.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.779 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -63.19 -32.28 73.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.27 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -46.72 54.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.325 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.53 -29.31 66.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.72 -44.03 64.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.525 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -67.05 -27.64 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.631 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -69.57 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.757 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 176.99 120.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.593 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.71 -28.67 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.43 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.41 74.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.95 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 74.8 m -50.54 -25.3 3.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.782 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.72 -30.32 71.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.562 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.36 -56.79 12.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.375 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.84 -28.7 67.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.41 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.3 tt -70.54 -34.11 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -34.01 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.71 -43.1 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -41.37 95.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -38.77 91.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -74.47 -39.23 62.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 t -66.08 -37.3 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.069 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.74 -42.65 95.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.006 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -48.07 78.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.388 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' B' ' 77' ' ' GLN . 3.1 mm -60.92 -35.02 61.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.532 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -42.65 96.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.238 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -49.07 78.96 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -34.38 76.55 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.541 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.03 -44.17 97.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.06 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -59.33 -44.11 92.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -48.09 78.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.627 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -69.17 -36.44 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.404 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -41.33 98.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.7 -32.47 71.07 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.054 0.454 . . . . 0.0 109.925 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.482 ' HB3' ' CG1' ' B' ' 67' ' ' ILE . 0.1 OUTLIER -62.38 -50.54 71.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.532 179.413 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -63.71 -44.67 92.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -36.16 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.546 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.1 mtm -73.44 -34.31 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.49 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -68.13 -44.64 75.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.842 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -67.87 -39.88 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -35.41 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.402 ' HB3' ' CD1' ' B' ' 60' ' ' ILE . 27.0 mt-30 -72.86 -43.66 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -36.25 83.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.623 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.76 -18.92 55.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -78.72 -46.03 19.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.968 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -44.3 92.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 0.0 110.517 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 33' ' ' SER . 0.1 OUTLIER 175.63 119.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.688 179.609 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.86 -29.81 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.018 0.437 . . . . 0.0 110.235 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.69 69.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.41 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 30' ' ' THR . 4.8 m -50.43 -25.15 3.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.914 0.388 . . . . 0.0 110.677 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.31 -30.81 69.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.596 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -68.27 -56.2 9.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.566 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -63.56 -33.02 74.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.422 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.07 -44.49 79.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.849 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -69.29 -33.51 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.788 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -75.57 -31.12 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -71.14 -41.71 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.84 0.352 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -65.22 -28.97 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.94 -29.98 31.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.776 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 t -73.86 -35.16 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.993 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.74 -34.95 76.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.64 -33.43 74.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 33.1 mm -70.67 -46.23 70.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 29.3 mt -58.17 -31.35 67.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -35.1 74.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.253 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mt -65.93 -34.1 77.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.452 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.408 ' HA ' HG21 ' B' ' 67' ' ' ILE . 4.3 tt0 -55.86 -35.82 66.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.76 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -36.61 83.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.06 -49.34 52.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.72 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.482 ' CG1' ' HB3' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -68.09 -34.08 64.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.33 -42.16 65.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.1 -36.89 80.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.75 -27.87 62.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.827 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -73.61 -28.6 61.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -65.47 -43.13 91.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -32.13 68.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.077 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -38.71 69.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -71.14 -44.29 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -65.62 -32.24 73.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.406 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -68.52 -46.71 68.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.66 -29.04 66.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.791 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.85 -21.19 44.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.746 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 -43.33 33.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.006 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.99 -46.69 80.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.704 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 174.79 119.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.48 -30.29 64.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.286 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -29.55 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.019 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 54.0 p -50.53 -25.2 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.744 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -61.85 -30.08 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.64 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -50.22 59.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.56 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -69.26 -30.44 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.42 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.37 -34.79 78.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.959 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -71.67 -30.38 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -69.3 -45.48 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -30.64 71.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.033 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.91 -32.78 71.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -76.91 -44.28 32.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.039 0.447 . . . . 0.0 109.812 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.2 t -66.22 -37.51 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.186 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.8 -43.14 97.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.916 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -46.44 84.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.37 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.404 ' CD1' ' HB3' ' B' ' 77' ' ' GLN . 2.2 mm -61.05 -40.03 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.527 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -41.65 79.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.326 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -44.08 97.13 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' CD2' ' CD2' ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.25 -34.61 76.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.663 179.009 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -62.33 -38.97 91.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.84 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -33.31 75.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.07 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.39 -41.23 69.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.406 ' CG2' HD12 ' B' ' 67' ' ' ILE . 12.2 mt -71.18 -47.74 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.68 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -34.41 77.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.579 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.35 -42.24 83.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.472 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -39.84 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.458 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -46.03 92.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.583 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -58.8 -42.36 88.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.632 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 tpp -64.4 -32.42 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -52.4 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.669 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.77 -30.6 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.656 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.92 -35.66 67.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -73.3 -38.33 65.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.775 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -38.43 64.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.797 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.3 mt -66.7 -31.84 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.771 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -58.94 -40.51 84.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -60.69 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.536 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 t 173.62 126.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.445 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -54.62 -25.78 28.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.985 0.422 . . . . 0.0 110.309 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.48 75.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.17 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -50.51 -25.29 3.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.718 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.18 -26.76 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.561 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -58.63 -53.7 55.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.396 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -68.97 -31.59 70.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.332 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 tt -67.89 -35.64 78.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.65 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.17 -44.99 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.771 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.49 -31.58 69.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -43.93 57.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.644 0.259 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -59.09 -43.03 91.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 111.063 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -78.73 -30.19 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.343 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 26.2 t -74.2 -32.73 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.753 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -38.15 84.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.682 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -29.52 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.727 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.64 -36.12 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.65 -34.2 77.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -63.79 -40.03 95.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -34.52 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -56.68 -47.26 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -35.11 75.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -49.51 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.471 HG22 HD13 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -68.29 -34.62 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.18 -42.33 75.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.573 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.59 -38.79 77.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.638 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.402 ' CD2' ' CD2' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -64.83 -29.72 70.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.694 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -37.24 68.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -59.37 -42.11 90.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.8 ttm -63.87 -32.04 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.737 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -52.38 54.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.06 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.55 -39.84 77.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -70.82 -32.35 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.691 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -73.68 -46.7 44.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -32.67 64.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.732 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.6 tt -80.36 -17.96 50.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -82.11 -42.11 19.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.51 -49.21 67.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.723 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 179.81 119.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.73 -29.09 66.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.437 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.39 -30.71 70.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.154 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 48.3 m -50.65 -25.19 3.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.11 -30.78 70.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.42 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.49 -55.31 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.289 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -65.55 -31.16 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.238 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.14 -38.13 89.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.619 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -71.75 -42.73 66.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.53 -44.22 94.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.761 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -38.77 77.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.75 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 . . . . . 0 CA--C 1.529 0.171 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -69.52 -46.31 66.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.746 0.308 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -73.99 -38.94 63.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.19 -42.21 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.912 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -38.16 88.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.689 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.22 -45.38 87.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.108 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.411 HG23 ' CD ' ' B' ' 74' ' ' LYS . 5.4 mm -61.18 -38.91 80.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.509 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -56.37 -48.83 76.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.477 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -44.51 94.92 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -34.6 77.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.864 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.34 -44.48 96.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.189 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -60.16 -42.75 95.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.545 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.2 -49.3 78.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -65.22 -44.3 95.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.602 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.47 -37.12 74.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.631 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.71 -41.93 74.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.574 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -36.38 81.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.719 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -65.85 -46.49 78.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.654 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -34.37 75.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.4 tpp -67.61 -41.77 83.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -65.7 -48.93 70.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.738 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -63.66 -40.55 97.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.696 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -65.42 -32.48 74.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -72.0 -46.56 56.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.54 -34.53 74.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.498 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -22.71 57.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.615 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 t -74.6 -48.08 28.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' CD1' ' CB ' ' A' ' 33' ' ' SER . 1.5 pp -67.0 -46.36 74.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.836 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 174.62 119.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.75 -34.92 71.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.182 0.515 . . . . 0.0 109.659 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.55 74.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.732 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.418 ' CB ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -50.62 -25.2 3.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.739 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.07 -26.2 68.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.652 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -55.69 -55.57 30.68 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.909 0.385 . . . . 0.0 110.575 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -64.44 -30.17 71.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.332 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tt -64.51 -43.29 94.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.58 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -67.34 -39.14 85.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.599 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -72.82 -31.44 64.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.676 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 tpt85 -68.28 -39.43 82.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.773 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.833 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.3 -27.92 68.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -80.28 -30.79 38.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 20.1 t -70.26 -38.91 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.78 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.54 -33.59 60.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -28.65 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 27.1 mm -76.7 -35.92 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.57 -36.56 83.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.59 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -61.3 -35.07 76.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.653 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.53 -34.73 76.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.53 -35.86 72.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -37.53 78.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.682 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -69.6 -49.26 55.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -34.03 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -48.89 78.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.48 -38.8 90.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -35.94 67.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.799 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.46 -36.23 65.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -66.96 -40.69 87.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 18.4 ttm -66.91 -31.97 72.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.411 ' CD ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.78 -50.95 30.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.101 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.59 -32.09 72.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -71.92 -33.09 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.08 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -74.03 -46.81 41.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.135 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -70.04 -29.1 66.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.717 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.46 -40.92 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.746 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -65.07 -31.13 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.718 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -70.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.817 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t 176.57 125.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -54.67 -26.48 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.362 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.49 -31.99 72.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.848 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.54 -25.16 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.744 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.22 -28.41 69.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.587 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -43.19 78.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.547 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -62.82 -27.34 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.723 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.2 -43.15 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.69 -53.9 52.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.02 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.25 -35.42 75.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -71.7 -47.63 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 m120 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.761 0.315 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -60.3 -28.1 67.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -80.1 -44.88 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.098 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.67 -33.95 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.279 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -68.76 -46.55 68.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.227 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.29 -36.37 73.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.235 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.417 HG21 ' HD2' ' B' ' 74' ' ' LYS . 11.5 mm -65.16 -45.03 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.571 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.8 mp -56.16 -45.88 79.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.521 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -59.94 -42.29 93.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.404 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.1 OUTLIER -63.58 -38.72 92.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.614 178.713 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.88 -39.3 74.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.035 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -65.65 -43.94 87.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.906 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.62 -43.26 99.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.398 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.11 -51.48 59.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -34.52 71.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.57 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.71 -38.25 83.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.658 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.72 -50.39 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.656 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.53 -37.72 82.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.625 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -59.45 -47.35 85.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 43.7 mtm -63.69 -32.15 73.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -62.75 -49.48 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.11 -38.92 92.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -66.23 -33.15 75.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.659 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.84 -46.13 46.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.04 -31.63 72.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.725 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -22.35 44.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.499 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -45.51 47.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' CD1' ' OG ' ' A' ' 33' ' ' SER . 1.0 OUTLIER -65.23 -45.41 84.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.358 . . . . 0.0 110.615 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 174.43 119.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.7 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.75 -28.82 61.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.78 70.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.2 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.4 ' OG ' ' CD1' ' A' ' 29' ' ' LEU . 27.3 m -50.59 -25.1 3.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.49 -29.31 70.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.652 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -61.73 1.69 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -31.75 71.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.543 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.79 -40.46 96.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.524 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -41.01 84.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.764 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -37.51 77.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.4 ttt-85 -65.65 -42.17 91.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.765 0.316 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -31.81 72.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.727 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.85 -30.87 31.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.717 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t -75.93 -33.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -38.22 86.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.774 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -33.17 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 33.0 mm -70.66 -44.73 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.27 -39.42 90.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.74 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -40.13 93.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.465 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.61 -34.31 76.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.679 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -55.92 -35.88 67.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -36.2 81.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.81 -49.6 44.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -34.12 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.513 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -63.7 -43.67 95.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.81 -32.38 72.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.347 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.11 -40.29 68.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.471 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -68.92 -46.62 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.795 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -34.25 74.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 16.4 ttt -69.79 -42.67 73.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.417 ' HD2' HG21 ' A' ' 8' ' ' ILE . 1.6 ttpp -69.05 -43.28 75.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.51 -30.46 71.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -33.49 66.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.037 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -46.64 62.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -64.55 -40.17 95.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.631 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -47.19 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.553 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -61.88 -32.53 72.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.333 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -63.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.577 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t 170.62 123.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.331 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -54.3 -27.54 36.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.422 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.58 -36.69 81.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.895 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.59 -25.16 3.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.644 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tp -63.34 -29.38 70.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.427 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -53.82 48.4 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -63.23 -27.73 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.87 -47.42 86.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.904 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -51.93 67.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.12 -35.44 69.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.026 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -79.48 -37.63 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.878 0.371 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -30.24 71.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.55 -45.61 21.42 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.99 -35.15 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.83 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -65.21 -43.11 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.655 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.98 -42.28 79.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.918 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mm -60.67 -42.32 91.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.19 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -47.94 83.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.327 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -63.16 -44.1 96.43 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.419 ' CD2' ' CD2' ' B' ' 70' ' ' LEU . 0.9 OUTLIER -63.05 -34.34 77.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.758 178.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -43.89 97.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.995 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -63.24 -37.58 87.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.673 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.57 -47.26 84.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.905 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.435 HG12 ' HB3' ' B' ' 70' ' ' LEU . 13.0 mt -64.32 -50.99 73.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.367 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -58.57 -34.44 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.377 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.73 -46.27 90.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.281 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -35.89 79.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.392 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -54.44 21.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -61.81 -37.48 84.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mtm -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.566 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -67.11 -49.04 66.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.873 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.45 -37.71 88.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.745 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -43.1 80.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.652 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -45.09 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.674 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -69.85 -43.23 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.99 -28.95 70.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -45.08 92.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.526 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -51.5 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.369 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 t 171.22 124.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.313 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -25.77 27.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.353 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.98 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.067 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.0 m -50.44 -24.99 3.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.35 -29.37 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.474 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -46.18 51.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.304 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -38.77 72.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.381 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tt -68.09 -36.05 79.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -66.5 -50.63 62.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -62.8 -31.63 72.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.27 -31.81 43.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.888 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.661 0.267 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -33.07 59.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.83 0.348 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -81.92 -32.16 31.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.51 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 40.8 t -73.95 -32.88 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.791 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -63.09 -38.41 91.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.68 -31.84 71.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 41.3 mm -69.01 -42.11 81.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 24.9 mt -57.28 -38.99 74.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -33.72 76.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.966 0.412 . . . . 0.0 110.227 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 7.8 tt -70.16 -34.52 73.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.409 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.15 -35.85 70.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.796 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.409 ' HA ' ' HG2' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -70.72 -31.2 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.779 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -44.57 55.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.745 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.406 HG23 ' N ' ' B' ' 68' ' ' GLU . 0.0 OUTLIER -67.41 -41.98 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' B' ' 65' ' ' LYS . 16.4 pt-20 -64.96 -40.18 94.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.842 0.353 . . . . 0.0 110.586 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.75 -32.52 71.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.435 ' HB3' HG12 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -71.31 -35.27 71.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.632 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.92 -37.03 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.767 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -67.06 -36.45 82.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 23.4 ptm -73.96 -33.26 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.467 ' HB3' ' HE3' ' B' ' 74' ' ' LYS . 2.6 ttpp -72.78 -42.97 63.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.49 -36.54 78.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.22 -32.25 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.661 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -69.35 -46.52 66.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.281 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -65.29 -40.27 93.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.896 0.379 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 tp -66.13 -44.5 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.693 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.6 t -60.4 -31.11 70.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.534 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -65.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.638 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 176.35 120.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.524 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -54.52 -27.97 41.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.427 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.87 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 68.6 m -50.61 -25.18 3.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.537 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.88 -30.51 70.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.446 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -67.21 -50.83 59.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.388 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -71.72 -29.73 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.402 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 10.1 tt -71.07 -34.1 70.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -65.47 -36.9 85.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.46 -43.68 98.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -66.72 -36.45 82.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.855 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.771 0.32 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -29.82 68.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -75.08 -42.73 56.16 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.46 -38.31 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.911 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.18 -42.4 99.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.642 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.88 -42.51 84.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.231 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mm -61.45 -44.26 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.484 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.433 HD11 ' HG ' ' B' ' 89' ' ' LEU . 0.3 OUTLIER -56.44 -38.93 72.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.29 179.68 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -65.19 -46.68 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -34.5 76.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.598 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -59.17 -45.33 91.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.103 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -43.04 99.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.418 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.24 -49.46 77.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.704 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -64.47 -48.96 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.48 -34.44 74.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -40.01 92.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.375 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -41.83 99.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.531 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -45.62 93.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.675 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -42.44 99.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.674 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.0 mtm -65.39 -43.16 91.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.643 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -65.98 -43.47 87.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.716 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -35.98 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.697 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -71.11 -40.08 71.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.757 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -67.6 -36.23 80.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.684 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -45.4 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.766 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.96 -35.56 81.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -59.36 -34.96 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.675 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.7 -59.85 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.799 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.32 122.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.5 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -54.49 -29.67 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.078 0.466 . . . . 0.0 110.087 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.67 -29.18 68.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.4 m -50.32 -25.16 3.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.538 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.24 -27.65 62.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.359 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -52.83 17.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.01 72.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 tt -69.09 -38.22 78.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -69.42 -40.1 77.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.39 -32.68 72.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -42.2 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.923 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.714 0.292 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -30.8 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -81.43 -31.66 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.45 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.8 t -70.47 -32.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.17 -44.31 97.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.47 -29.33 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 38.8 mm -60.24 -33.78 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.74 -39.81 95.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.663 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.77 -38.04 83.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.729 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -34.65 77.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.677 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -35.93 82.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -37.56 73.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -69.23 -45.88 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 11.8 tt -66.28 -35.31 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.12 -40.87 97.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -69.63 -41.17 75.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -32.13 70.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -41.28 84.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -47.58 85.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.4 -37.78 78.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -52.25 59.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.067 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -65.72 -38.74 90.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.064 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -33.58 70.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -74.13 -44.98 51.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.046 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.413 ' HA ' ' CD2' ' B' ' 81' ' ' LEU . 7.0 tm-20 -69.87 -32.35 70.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.813 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.46 -18.29 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.02 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -82.52 -41.62 19.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' B' ' 78' ' ' GLU . 2.7 pp -65.98 -49.97 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.992 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 172.67 119.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.782 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.53 -30.61 67.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.161 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.28 74.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.284 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.42 -25.12 3.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 8.2 mt -60.36 -29.04 68.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.492 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -59.32 -61.53 2.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.009 0.433 . . . . 0.0 110.322 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -27.37 69.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.127 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.433 ' HG ' HD11 ' A' ' 9' ' ' LEU . 9.4 tt -64.64 -39.62 94.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.766 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -53.64 52.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.3 -37.43 75.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -40.67 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.504 0.192 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -64.89 -46.94 79.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.227 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -74.05 -41.98 60.95 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.256 0.551 . . . . 0.0 109.581 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.2 t -63.75 -35.4 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.133 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.76 -42.63 90.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.758 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.61 -44.69 77.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.959 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 mm -61.27 -39.85 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.315 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.2 -41.85 76.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.21 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -45.35 93.33 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.417 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -62.19 -36.2 81.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.706 178.837 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -61.74 -35.86 79.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.18 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -69.4 -36.32 76.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.035 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.57 -32.53 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.369 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.445 ' CG2' HD12 ' B' ' 67' ' ' ILE . 61.3 mt -75.86 -50.07 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.337 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -33.91 72.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.438 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.19 -51.45 37.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.737 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' B' ' 67' ' ' ILE . 0.3 OUTLIER -62.37 -30.25 71.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.33 -40.67 67.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.746 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -68.62 -34.25 75.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.655 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.0 tpp -67.43 -47.5 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -61.87 -41.97 98.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.791 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.6 -40.93 89.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -67.01 -40.4 87.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -61.58 -42.19 98.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.794 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -70.92 -44.15 66.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.684 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.97 -31.49 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.631 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -59.23 -37.35 77.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -72.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.518 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.43 122.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.476 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.51 -28.94 48.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.958 0.408 . . . . 0.0 110.071 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.24 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.825 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.401 ' HB3' ' CG2' ' B' ' 57' ' ' VAL . 75.0 m -50.31 -25.19 3.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.04 -24.83 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -58.88 -50.46 73.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.886 0.374 . . . . 0.0 110.297 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -67.06 -33.72 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.068 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -39.64 89.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.68 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -70.58 -47.91 57.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.74 -31.21 71.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -69.89 -49.63 50.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 39.5 p30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.618 0.247 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -31.18 43.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -81.91 -29.29 32.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.678 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 33' ' ' SER . 21.8 t -75.42 -32.83 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.023 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -36.06 82.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.872 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -31.06 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 38.4 mm -61.5 -33.62 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.69 -40.27 94.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.805 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -38.29 82.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.608 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.92 -34.54 77.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.595 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -57.51 -36.58 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.707 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -69.47 -39.57 77.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.65 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.94 -44.96 87.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.658 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.445 HD12 ' CG2' ' A' ' 15' ' ' ILE . 5.7 tp -70.79 -33.98 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.623 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.3 -39.52 92.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.629 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -68.87 -40.39 79.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.555 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 -30.68 64.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.779 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -74.93 -34.63 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -69.08 -43.52 74.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 3.1 ttm -61.16 -40.67 94.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.417 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -58.54 -50.04 75.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.089 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -47.94 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -35.18 78.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.354 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -45.75 48.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.134 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.38 -31.51 63.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.981 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.2 tt -72.83 -29.87 63.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.765 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 44.0 t -61.6 -33.47 73.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.624 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.46 -66.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.745 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 179.78 126.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.576 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -54.57 -25.92 29.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.956 0.408 . . . . 0.0 110.266 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.51 -34.93 78.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.802 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 50.3 m -50.82 -25.22 4.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.813 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 5.1 tp -67.64 -29.44 68.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.34 -33.22 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.451 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -69.72 -28.76 66.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 65.9 mt -60.67 -44.25 96.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -56.16 -50.05 72.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.35 -39.87 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.764 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -40.36 87.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 t30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.758 0.313 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -62.13 -29.63 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -78.8 -46.34 18.98 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 109.855 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.2 t -62.43 -38.62 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.01 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -41.32 92.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.795 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.75 -43.5 72.77 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.149 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.6 mm -63.99 -41.52 92.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.353 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.409 HD11 ' CG ' ' B' ' 89' ' ' LEU . 0.3 OUTLIER -56.34 -41.03 75.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.178 179.603 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -63.04 -44.9 94.62 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -35.26 78.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.358 178.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.435 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -55.85 -48.35 75.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.735 178.821 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -61.99 -33.92 75.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.804 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.3 -49.48 66.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.847 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.509 HG13 ' N ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -68.66 -33.61 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.978 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.509 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -70.78 -40.64 72.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.594 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -43.03 76.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.006 0.432 . . . . 0.0 110.084 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.429 ' HB3' ' CD1' ' B' ' 67' ' ' ILE . 0.2 OUTLIER -65.28 -42.16 93.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.443 179.507 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -41.91 99.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.536 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -47.5 83.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.521 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.23 -34.88 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.464 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -52.11 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.769 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -68.55 -31.85 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.46 -32.42 69.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -73.65 -43.7 58.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.54 -37.24 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.738 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.69 -29.55 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.679 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -57.8 -43.43 85.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.724 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -60.82 2.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.503 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 t 174.07 127.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.591 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.49 -25.71 27.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.998 0.427 . . . . 0.0 110.297 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.37 -28.99 68.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.13 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.9 m -50.36 -25.16 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.42 -28.32 68.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.551 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -65.14 -58.28 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.511 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -62.8 -33.84 76.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.301 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.79 -41.03 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.722 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -66.12 -46.28 78.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -30.73 71.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.828 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -71.37 -35.08 70.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 18.4 p30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.724 0.297 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -40.09 84.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -78.93 -28.51 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.372 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.58 -32.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.872 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.18 -36.48 81.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.79 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.74 -32.89 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 42.2 mm -66.45 -48.78 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tp -57.08 -39.69 75.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.721 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.75 72.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.019 0.438 . . . . 0.0 110.297 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 tt -68.86 -34.35 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.39 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.89 -35.91 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.695 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -56.86 -31.89 65.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.644 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -73.54 -35.79 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.536 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 18' ' ' LEU . 1.1 mm -79.84 -33.93 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.233 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -39.89 65.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.449 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -69.67 -33.11 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.328 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.407 ' HB3' HG21 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -68.09 -30.8 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.639 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.413 ' HA ' ' NZ ' ' B' ' 74' ' ' LYS . 32.7 mt-30 -73.41 -34.87 65.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -43.81 86.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.3 ttp -74.09 -31.95 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.818 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.442 ' NZ ' ' HB3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -77.57 -38.21 48.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.193 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -30.47 63.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.205 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.22 -32.34 62.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.076 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -73.89 -46.66 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -34.3 74.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.633 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.4 -43.72 59.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -60.4 -32.29 71.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -65.81 0.63 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.286 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.2 t 169.98 125.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.331 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.3 -25.88 26.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.017 0.437 . . . . 0.0 110.35 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.58 -36.59 81.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.239 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -25.34 4.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.678 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.86 -29.19 70.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.339 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -45.45 86.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.983 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -29.5 60.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.075 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.409 ' CG ' HD11 ' A' ' 9' ' ' LEU . 8.8 tt -72.76 -39.47 66.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.92 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.79 -39.6 91.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.676 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -51.3 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -107.43 -34.54 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -60.92 -28.11 68.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -78.39 -38.37 41.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.123 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.5 t -73.91 -32.73 34.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.083 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -66.22 -49.37 67.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.295 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -63.3 -36.88 85.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.962 0.41 . . . . 0.0 110.143 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.1 -37.26 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.054 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tp -63.75 -41.65 97.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.143 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.14 -39.64 90.79 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' HB3' ' CG ' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -66.3 -38.72 88.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.632 178.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.78 -37.36 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.478 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -63.81 -50.22 69.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 8.8 pt-20 -59.35 -36.5 75.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' B' ' 71' ' ' GLN . 20.3 mt -72.32 -53.21 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.0 0.429 . . . . 0.0 110.345 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -34.63 70.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.465 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.89 -37.83 76.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.338 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -37.77 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.648 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.66 -37.05 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -66.93 -41.29 87.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.723 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.8 ptp -70.03 -36.67 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.68 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -70.12 -44.32 69.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -39.04 89.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.643 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.95 -41.11 78.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.713 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -42.59 94.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.727 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -47.17 73.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.753 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -32.41 74.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.2 t -59.82 -40.67 89.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -58.4 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.363 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 t 175.51 123.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.43 -25.6 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.493 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.08 -28.97 68.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.202 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 m -50.35 -25.14 3.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.485 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.91 -29.03 64.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.45 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.59 -50.57 64.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.392 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -39.75 93.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.298 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -41.5 92.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.648 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.75 -44.37 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -45.26 95.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.769 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -61.99 -44.08 97.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -43.28 80.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -37.05 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -64.14 -32.37 73.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -76.74 -23.27 53.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.8 mp -97.93 65.47 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.805 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -127.94 130.01 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -77.05 131.75 38.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mp -103.37 153.52 20.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.74 -53.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.56 -44.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.016 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -149.37 -45.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -32.37 67.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -81.87 -34.01 30.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 30.4 t -73.15 -32.85 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.809 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.71 -36.04 82.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.782 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -31.18 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . 0.474 HD11 HG23 ' B' ' 60' ' ' ILE . 36.5 mt -63.6 -33.88 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.59 -38.13 71.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.736 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -69.33 -32.89 72.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.559 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -34.58 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.714 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -59.76 -37.71 79.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.698 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -66.17 -40.54 90.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.693 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -49.38 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.71 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -34.1 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.33 -42.84 61.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.37 -39.76 85.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.602 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.424 ' HB3' HG12 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -61.7 -33.51 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.615 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -69.8 -33.27 72.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.08 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -61.21 -39.06 88.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -32.05 63.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.424 ' HB2' ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -74.19 -41.22 61.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -69.93 -37.63 75.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -32.24 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.755 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -67.45 -46.38 73.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.325 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.407 ' HA ' HD22 ' B' ' 81' ' ' LEU . 2.1 tm-20 -68.48 -36.55 79.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 110.947 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.7 -12.83 60.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 52.8 p -84.15 -44.81 13.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.302 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' B' ' 78' ' ' GLU . 3.3 pp -70.76 -54.83 10.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 0.0 111.044 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.405 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 0.2 OUTLIER -171.69 119.41 0.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.786 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -60.59 -31.65 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.034 0.445 . . . . 0.0 110.114 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.14 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 8.9 p -50.45 -25.06 3.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.792 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 tp -62.41 -28.63 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -59.5 -60.67 3.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.444 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -63.43 -29.1 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.384 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.05 -36.3 81.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -60.21 -42.27 94.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.28 -40.67 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.08 84.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -71.54 -41.17 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.39 -20.59 66.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -79.3 0.07 30.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.603 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -95.0 29.53 2.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.701 0.286 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.69 -28.17 33.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -97.42 33.73 1.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.37 -179.07 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.83 126.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 61.76 57.49 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.6 111.43 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.906 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.14 -25.17 11.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -34.82 72.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -75.76 -41.57 52.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.9 t -64.43 -36.41 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.916 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -66.7 -40.41 88.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.801 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -47.62 77.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.165 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.77 -34.62 69.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.336 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.16 -45.61 83.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.265 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -65.5 -42.87 91.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.699 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -34.61 76.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.81 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.19 -41.0 97.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.15 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -61.69 -40.85 96.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -48.39 81.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.602 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' B' ' 71' ' ' GLN . 10.2 mt -66.09 -48.36 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.506 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -59.58 -34.45 72.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.33 179.549 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.441 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -70.29 -33.53 71.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.487 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -51.6 40.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -60.24 -39.9 88.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.098 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' A' ' 17' ' ' ASP . 15.6 ptm180 -70.21 -34.32 72.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 110.167 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 ttp -73.68 -32.86 64.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.54 -47.18 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.577 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -36.66 82.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.694 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.14 -41.23 81.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.777 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.57 -41.55 98.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.711 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -42.18 76.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.709 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.2 -40.5 94.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.635 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -37.14 73.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.418 . . . . 0.0 110.27 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -68.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.261 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 m -166.54 120.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.329 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -54.47 -27.02 34.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.369 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.01 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.645 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.8 m -50.34 -25.01 3.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.694 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.98 -28.21 67.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.421 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -74.47 -54.44 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.732 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -36.85 85.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.73 -40.8 84.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.743 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -69.14 -40.44 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.59 -44.04 97.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.74 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -63.69 -41.78 98.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -38.76 76.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -37.19 66.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -35.54 75.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.06 -23.23 35.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.25 139.74 37.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.34 32.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.801 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 60.33 -175.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mp -77.85 -52.17 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.92 115.26 19.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -92.02 -52.65 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.992 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -154.55 -46.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -67.67 -35.51 78.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -80.28 -29.49 38.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.541 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 43.7 t -71.75 -32.75 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.633 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -58.26 -43.67 88.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -27.41 66.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.1 -33.65 63.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.96 -41.64 98.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.653 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -59.91 -36.98 78.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.741 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.28 -34.7 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -60.33 -36.68 78.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.754 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.94 -35.69 64.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -38.4 65.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.781 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -72.98 -41.57 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -68.16 -36.62 79.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.604 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -69.67 -33.87 73.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.404 ' HB3' HG12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -72.71 -34.07 66.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.622 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.408 ' HA ' ' CD1' ' A' ' 15' ' ' ILE . 3.7 tt0 -68.18 -41.05 82.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -58.18 -36.26 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -32.87 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.405 ' CB ' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -78.77 -38.35 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -74.84 -30.67 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -73.44 -32.44 64.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -71.29 -46.69 60.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -63.94 -34.06 77.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -51.17 33.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.636 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -61.66 -28.14 69.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -67.17 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.683 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 174.64 119.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.607 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -28.11 43.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.447 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.54 83.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.78 -25.68 4.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -26.22 62.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.699 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -36.4 78.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.734 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -73.24 -32.47 64.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.659 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.59 -32.08 73.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.762 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -53.68 55.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -66.24 -30.78 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -39.51 66.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -27.97 38.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.65 -31.54 65.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.042 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -22.28 60.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.49 -23.14 37.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.308 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.32 125.7 49.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.869 0.366 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -34.85 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.38 159.45 44.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.77 -53.21 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.69 -51.14 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.795 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.97 -78.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.779 0.323 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -111.2 -27.71 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.023 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -59.63 -29.76 68.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.196 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -78.3 -44.72 24.54 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.069 0.462 . . . . 0.0 109.936 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.412 ' CG1' ' CD2' ' B' ' 89' ' ' LEU . 3.8 t -65.19 -35.66 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.17 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.4 -42.47 83.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.964 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.08 -46.88 78.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.2 mm -63.89 -34.08 66.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.226 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -48.7 78.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.17 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -64.4 -40.24 95.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.18 0.514 . . . . 0.0 109.696 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -35.41 79.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.955 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.61 -42.37 95.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.385 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -43.02 99.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.72 -45.39 92.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.402 ' CD1' ' HA ' ' B' ' 71' ' ' GLN . 11.1 mt -69.11 -45.31 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -34.44 76.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.445 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -69.59 -39.07 77.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 0.2 OUTLIER -71.28 -34.62 70.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.857 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -40.67 74.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -67.76 -42.87 81.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.269 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.444 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 1.9 ptp -68.0 -32.03 72.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.42 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -50.14 71.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.39 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -62.65 -44.1 97.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.675 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -38.71 84.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.668 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -45.21 93.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.31 -37.91 74.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.751 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.88 -34.79 77.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.585 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -41.23 86.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -51.36 68.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.295 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 33' ' ' SER . 1.0 OUTLIER 169.53 123.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.185 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -54.44 -25.96 28.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.7 -32.77 73.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.444 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -50.5 -25.13 3.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.738 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.47 -27.99 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.288 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.92 -46.65 74.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.372 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.79 -40.72 83.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.298 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -36.76 76.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.604 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -39.94 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -66.29 -45.03 81.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.967 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -64.91 -37.24 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -78.53 -47.0 18.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.23 -33.6 71.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -59.34 -29.72 67.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.65 29.59 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.6 137.3 52.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -157.93 41.55 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.74 142.13 18.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mt -83.35 82.03 8.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -103.41 31.38 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.04 139.41 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -90.26 -29.47 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -32.51 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -81.75 -31.59 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.502 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 26.4 t -72.15 -32.7 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.86 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -72.06 -31.56 66.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.59 -41.92 92.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.8 mt -60.47 -33.41 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 tp -59.39 -37.12 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.493 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -35.3 80.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.161 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.8 -34.21 77.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.356 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.401 ' HA ' HG22 ' B' ' 67' ' ' ILE . 8.8 tt0 -55.86 -35.96 67.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.821 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -31.7 72.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -49.44 30.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.401 HG22 ' HA ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -69.09 -37.12 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.407 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -68.03 -41.73 81.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.552 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -69.62 -32.85 71.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.018 0.437 . . . . 0.0 110.464 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.73 -34.68 67.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.624 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.402 ' HA ' ' CD1' ' A' ' 15' ' ' ILE . 22.2 tt0 -70.77 -29.15 65.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 -64.49 -38.81 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 1.3 ttt -73.81 -34.55 64.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.402 ' CB ' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -75.28 -39.09 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.68 -38.74 62.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -70.65 -32.37 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -71.81 -46.7 57.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -69.36 -37.13 77.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.372 . . . . 0.0 110.738 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 tt -67.95 -40.53 83.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.641 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 45.4 t -68.99 -30.45 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.505 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.684 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.01 119.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.685 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -28.56 48.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.932 0.396 . . . . 0.0 110.435 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.31 -32.95 74.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.939 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 73.4 m -50.62 -25.18 3.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.764 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.85 -27.83 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -65.9 -46.42 78.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -28.43 66.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.751 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.412 ' CD2' ' CG1' ' A' ' 5' ' ' VAL . 21.0 mt -67.36 -31.51 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.06 -43.06 86.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.43 -43.19 97.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -73.28 -33.93 65.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -35.12 65.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -31.9 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -65.27 79.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -103.33 29.49 5.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.56 150.34 39.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.99 169.23 17.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.61 167.75 21.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.73 85.93 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -169.54 171.61 7.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.85 168.93 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.916 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -176.43 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.784 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.85 -39.46 90.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.81 -42.03 58.85 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -63.47 -41.04 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.245 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.31 -41.88 98.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.937 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -42.93 80.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.414 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' B' ' 77' ' ' GLN . 4.7 mm -63.7 -41.11 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -41.46 75.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.321 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -63.32 -46.35 87.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.164 0.507 . . . . 0.0 109.695 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.27 -34.59 76.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.687 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.79 -42.38 93.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.016 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HA ' ' HG2' ' A' ' 16' ' ' GLU . 31.4 mttp -62.89 -42.08 99.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.091 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.9 -39.48 93.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.872 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.419 HG12 ' CB ' ' B' ' 70' ' ' LEU . 6.2 mt -70.93 -48.21 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.823 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -66.56 -33.85 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.811 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 40.7 t0 -68.28 -43.68 77.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.84 0.352 . . . . 0.0 110.505 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.49 -35.25 80.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -48.54 78.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.519 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -66.52 -34.16 77.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.536 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -44.03 88.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.784 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.73 -49.92 74.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -65.0 -42.26 94.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -68.93 -32.44 72.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.726 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -71.23 -46.57 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.39 -37.33 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.688 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -41.59 97.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.554 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -58.69 -32.95 69.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.971 0.415 . . . . 0.0 110.346 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 -54.91 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.338 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.64 119.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.496 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.87 -28.9 53.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.36 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.58 69.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.0 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.6 m -50.76 -24.92 3.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.21 -29.31 70.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.93 18.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -63.02 -39.77 95.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.443 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.29 -41.91 98.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.809 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.53 -40.43 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.32 -40.0 95.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -46.28 88.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -69.0 -39.17 79.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.62 -28.32 63.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -57.22 -30.76 64.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -85.25 -23.36 28.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mp -101.97 164.87 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.61 149.32 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.99 162.81 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mt -143.95 -178.98 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.64 -54.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 60.27 169.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.82 0.343 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -55.64 -32.17 62.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -64.78 -34.81 79.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -80.62 -32.87 36.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.429 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.7 t -70.33 -32.67 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.806 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.79 -34.72 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.683 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.48 -32.8 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . 0.435 HG22 HD13 ' B' ' 60' ' ' ILE . 39.1 mm -63.68 -34.05 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.772 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.12 -39.12 92.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -36.55 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.44 -34.38 77.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.683 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -55.69 -35.96 66.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -31.2 72.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.631 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -71.85 -49.07 41.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.747 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -35.12 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -68.12 -38.82 82.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.706 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.79 -46.95 88.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.681 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.419 ' CB ' HG12 ' A' ' 15' ' ' ILE . 1.5 mt -62.43 -33.59 75.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.05 -50.79 64.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -43.99 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -32.07 73.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.601 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -50.81 44.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.071 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.52 -37.08 85.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -34.2 72.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.103 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.406 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -74.03 -46.33 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.976 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.417 ' HA ' ' CD2' ' B' ' 81' ' ' LEU . 1.5 tt0 -64.86 -29.21 70.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.88 -24.53 41.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.664 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.31 -44.2 46.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' B' ' 78' ' ' GLU . 2.7 pp -67.1 -48.07 69.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 176.31 119.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.947 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -59.72 -29.49 68.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.338 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.33 -30.91 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 70.4 m -50.53 -25.3 3.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.94 -32.42 71.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -31.5 59.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -31.58 71.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.83 -42.75 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -49.33 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.035 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.67 -32.58 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.025 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -41.04 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.141 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -30.63 53.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.73 -47.54 83.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -79.3 59.44 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -107.46 -23.12 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tp -64.45 139.37 58.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -144.27 115.26 7.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.38 105.48 16.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 40.9 tp -130.43 151.23 51.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -89.86 -40.76 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.02 -34.77 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.81 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.826 0.346 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -120.19 -41.75 2.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.786 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -28.17 66.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -75.64 -41.17 54.88 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 t -64.88 -37.84 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.135 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.46 -42.03 92.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.072 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -44.76 84.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.482 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mm -64.5 -36.66 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.704 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -45.61 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.331 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tpp85 -62.33 -44.82 95.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.122 0.486 . . . . 0.0 109.7 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -35.51 79.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.766 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.19 -45.34 91.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.279 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -39.76 92.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.156 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.17 -43.62 92.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.472 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.449 HG12 ' HB3' ' B' ' 70' ' ' LEU . 38.8 mt -73.47 -38.14 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.311 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -39.28 93.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.88 -38.83 76.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.426 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -33.97 70.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.588 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -71.51 -46.6 59.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.752 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -65.29 -34.36 78.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.656 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 ttp -67.4 -42.32 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.727 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.99 -47.86 84.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.742 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -66.6 -38.6 87.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -69.18 -36.39 77.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -66.8 -43.09 84.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -44.54 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.27 -32.87 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.741 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 p -57.12 -36.84 71.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.49 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.89 -54.43 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.333 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 174.42 121.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.364 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -54.51 -29.03 49.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 -28.96 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.778 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.1 m -50.08 -25.09 3.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.685 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.54 -27.48 64.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -65.83 -40.98 92.3 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.717 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -65.02 -48.51 73.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.602 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.08 -39.51 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.1 -39.03 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -34.67 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -31.73 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -32.01 65.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -76.16 -31.12 58.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -33.13 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -23.21 18.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.055 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.16 38.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -103.49 -39.24 6.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -95.1 146.99 23.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.8 mp -77.62 78.6 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -96.22 153.04 18.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -142.98 -47.19 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -109.86 -33.16 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -61.09 -32.31 71.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -81.95 -35.47 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.39 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 28.5 t -74.64 -32.91 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.866 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -33.26 75.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.763 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.55 -35.04 75.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.89 -37.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.798 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.34 -46.96 88.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 ttt-85 -61.39 -32.8 72.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.417 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.8 -34.52 78.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.556 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.19 -35.82 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.734 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -58.77 -34.76 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -32.06 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.727 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mm -75.0 -44.69 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -68.17 -36.94 80.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.683 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.49 -43.39 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.449 ' HB3' HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -68.34 -39.46 81.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.437 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.417 ' HA ' ' CD1' ' A' ' 15' ' ' ILE . 3.6 tt0 -64.53 -42.54 95.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -38.6 71.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 6.5 ttt -74.07 -31.99 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.739 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -41.72 70.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -69.33 -43.51 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -65.44 -32.31 73.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -72.63 -46.57 53.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.321 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.419 ' HA ' ' CD2' ' B' ' 81' ' ' LEU . 0.6 OUTLIER -68.33 -29.08 67.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tp -80.77 -20.82 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.821 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.81 -43.05 31.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' B' ' 78' ' ' GLU . 2.0 pp -63.98 -49.73 71.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.732 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 175.47 119.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -29.26 61.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.47 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -29.21 68.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.949 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.402 ' CB ' ' CD1' ' B' ' 81' ' ' LEU . 60.2 p -50.57 -25.28 3.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.653 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.09 -30.26 70.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.528 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -72.48 -60.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.535 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -59.89 -30.5 69.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.628 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 9.0 tt -64.97 -41.24 95.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.9 -42.35 94.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.46 -31.04 67.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.16 80.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.29 -30.18 38.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.7 -41.95 91.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -79.24 74.66 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.09 29.54 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.15 30.12 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 58.52 32.99 22.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -113.5 106.99 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 12.3 mt -132.37 -46.5 0.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -150.99 -175.35 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -135.61 31.36 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.85 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.694 0.283 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -177.94 -38.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -28.79 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -77.99 -43.0 30.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.082 0.467 . . . . 0.0 109.887 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.407 ' CG1' ' CD2' ' B' ' 89' ' ' LEU . 2.8 t -68.21 -34.13 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.079 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -43.96 82.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.826 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -40.1 85.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.206 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.443 HG22 ' HD2' ' B' ' 74' ' ' LYS . 22.6 mm -62.22 -42.3 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.501 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -52.47 65.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.105 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 ttm-85 -58.29 -38.44 77.05 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.434 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -65.07 -37.27 86.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.601 178.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -43.18 82.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.956 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -64.96 -40.73 95.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.065 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.84 -47.58 82.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.442 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.433 ' CD1' ' HD3' ' B' ' 74' ' ' LYS . 19.4 mt -65.4 -49.52 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -35.19 74.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.464 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.51 -39.47 88.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.434 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.24 -39.81 95.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.531 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -47.3 84.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.738 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -59.97 -43.82 94.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.599 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.53 -32.54 74.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -52.6 55.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.67 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -33.49 74.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -68.67 -34.82 76.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.729 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -38.48 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.636 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -43.81 61.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -66.99 -34.86 78.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.653 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -59.0 -36.8 75.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.156 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.87 -69.25 0.38 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.287 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 m -166.88 122.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.263 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.38 -26.31 29.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.415 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.46 -28.97 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.93 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.9 m -50.11 -25.03 3.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.75 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.59 -26.79 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.557 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -68.73 -44.24 74.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.704 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -68.29 -42.87 78.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.228 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -38.33 76.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.821 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -70.23 -49.82 46.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -31.83 73.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -67.88 -43.58 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -47.61 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -26.74 65.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.91 -30.1 63.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.29 -23.3 65.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 mp -105.82 -68.56 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.89 35.47 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.76 155.75 14.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.19 155.31 31.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.04 95.78 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.65 123.38 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -79.19 -31.01 43.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -30.29 71.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -82.0 -34.68 29.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.568 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 11.7 t -72.97 -32.94 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.826 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.78 -37.89 88.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.586 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.75 -31.34 72.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 20.7 mt -62.36 -33.54 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.79 -44.73 86.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -62.2 -32.98 73.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.613 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.03 -34.73 78.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.622 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -58.7 -35.96 73.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.691 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -66.56 -34.41 77.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -49.45 52.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -39.98 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.85 -42.38 97.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.378 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -69.66 -32.94 71.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.417 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.415 ' CD2' ' CD2' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -70.66 -36.36 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.533 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -74.61 -35.05 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -35.1 78.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 19.1 ptm -73.82 -35.57 64.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.443 ' HD2' HG22 ' A' ' 8' ' ' ILE . 5.2 ttpp -73.51 -43.05 60.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.767 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.36 -34.54 77.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.88 -32.27 59.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -70.74 -41.36 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -68.89 -43.23 75.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -38.76 92.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.7 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 t -70.84 -29.92 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -66.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.652 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 176.65 119.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.743 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -54.84 -28.19 47.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -32.22 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.058 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 62.0 m -50.63 -25.18 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.769 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.58 -28.66 69.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.708 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -74.73 -30.72 61.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.761 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -76.33 -35.15 58.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.407 ' CD2' ' CG1' ' A' ' 5' ' ' VAL . 90.3 mt -67.08 -36.81 82.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.734 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -59.23 -39.04 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.94 -36.12 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -77.3 -35.83 54.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -36.69 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.33 -41.5 76.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -67.48 -21.44 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.61 -23.31 66.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.16 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 mp -87.1 -75.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.879 0.371 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -77.02 166.13 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.06 139.21 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.5 99.66 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.97 -56.84 2.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -118.77 156.98 28.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.846 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.759 0.314 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.78 -23.41 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -65.85 -30.4 71.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.026 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.443 ' HB3' ' CD1' ' B' ' 81' ' ' LEU . 61.2 mt-30 -79.91 -48.47 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.041 0.448 . . . . 0.0 109.81 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.8 t -65.39 -33.01 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.011 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.56 -41.46 75.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.894 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.01 -42.52 85.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.212 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.9 mm -67.78 -36.86 77.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.98 -42.49 90.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.195 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -65.51 -44.74 86.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.412 ' CD2' HD21 ' B' ' 70' ' ' LEU . 0.3 OUTLIER -62.32 -34.51 76.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.699 178.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -60.34 -46.59 89.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.089 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -59.94 -41.07 91.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.355 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.46 -49.43 77.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.661 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.39 -41.93 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -38.07 84.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.333 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.9 -33.22 71.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.293 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -38.48 67.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.655 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -67.92 -45.13 75.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.71 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -39.48 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.689 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 tpp -64.2 -39.44 93.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.803 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -67.11 -45.83 76.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.786 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.3 -41.88 96.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -35.17 79.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.727 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -66.31 -45.62 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -45.11 78.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.34 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.734 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.52 -40.99 88.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.7 -55.58 10.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.631 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 t 176.9 125.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.462 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.42 -25.72 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.522 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.02 -28.91 68.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.004 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 m -50.27 -25.1 3.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.601 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.32 -29.63 66.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -70.34 -53.22 17.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.484 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -67.57 -34.76 77.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.517 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.97 -33.2 75.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -46.83 57.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.72 -33.97 74.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -36.07 58.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -78.59 -29.91 46.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -30.1 69.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.999 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.72 -23.27 31.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.268 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 tp -106.43 158.35 16.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.68 -175.69 4.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -106.74 -52.53 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.93 97.94 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 60.02 170.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.37 -57.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -65.45 -30.52 71.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -63.11 -37.59 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -79.51 -29.54 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.42 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 40.1 t -72.28 -33.03 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.83 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.54 -37.71 82.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.699 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -31.26 71.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 38.8 mm -60.55 -44.66 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.7 mt -59.68 -35.34 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.605 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -36.7 81.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.497 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.72 -34.41 77.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.499 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.44 -37.05 69.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.792 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -62.68 -31.49 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.53 -48.67 31.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.458 HG13 ' N ' ' B' ' 68' ' ' GLU . 1.0 OUTLIER -65.68 -33.56 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.762 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.458 ' N ' HG13 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -68.7 -47.63 65.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.613 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.42 -39.19 86.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.35 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.412 HD21 ' CD2' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -72.9 -31.15 64.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.538 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.8 -28.67 58.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -68.92 -45.39 70.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.2 ttm -68.11 -31.94 71.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.402 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -72.55 -44.75 61.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.115 -179.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -71.03 -37.29 72.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.063 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -32.3 70.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.779 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -69.03 -46.74 67.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -38.38 88.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.609 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -45.11 91.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.578 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -61.57 -25.38 67.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -69.37 -71.75 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.519 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -178.67 120.67 0.08 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.46 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -27.73 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.434 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.36 -31.23 71.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.832 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 66.4 p -50.48 -25.31 3.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.588 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.572 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.92 -57.84 6.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.545 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -66.77 -31.66 72.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.96 -32.96 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.755 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -66.84 -34.52 77.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -61.65 -40.7 95.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -68.8 -41.97 77.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -44.23 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.93 -34.49 71.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -78.78 79.39 5.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -102.81 -23.26 13.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.39 147.99 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -149.63 31.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.823 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 11.7 mtp-105 -91.24 93.17 8.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.768 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt 60.06 172.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -145.98 42.97 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 61.14 91.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.897 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.851 0.358 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -56.95 -39.7 75.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -27.96 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -78.55 -45.12 22.56 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.946 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 t -65.46 -36.68 78.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.021 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.08 -42.38 89.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.931 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.4 -43.45 83.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.342 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mm -67.74 -34.91 70.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.511 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.47 -42.82 96.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.236 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -44.83 90.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.327 0.584 . . . . 0.0 109.427 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -34.62 77.0 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.738 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.09 -42.38 98.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.946 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -62.78 -39.2 93.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.179 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.25 -43.88 95.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.582 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.413 ' CD1' ' HB2' ' B' ' 74' ' ' LYS . 21.9 mt -72.47 -42.22 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.397 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -36.03 82.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.284 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.89 -39.21 76.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.336 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -45.07 83.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.541 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.35 -45.82 89.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.624 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -65.62 -43.21 90.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.709 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.658 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' CG ' HG23 ' B' ' 60' ' ' ILE . 23.0 ttpp -70.27 -41.4 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -68.41 -38.56 81.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -37.34 84.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.767 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -68.11 -46.63 70.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.05 -36.56 83.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.717 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.52 -34.29 73.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -32.51 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.632 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -71.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.542 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -166.08 123.07 1.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.541 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -28.59 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.118 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.6 -29.15 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.774 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 m -50.35 -25.08 3.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.807 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.96 -29.59 68.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.434 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -57.66 3.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -31.4 72.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.447 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.4 ' HG ' ' CG ' ' B' ' 61' ' ' LEU . 5.5 tt -67.62 -43.26 80.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -71.63 -39.91 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -46.66 88.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -48.05 80.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -46.85 83.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.861 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.38 -27.88 69.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -58.29 -32.72 68.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.975 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.43 -23.25 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -29.83 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 158.0 11.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.35 104.86 8.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -138.06 153.06 49.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -84.0 111.81 19.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.3 105.14 8.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.894 0.378 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -176.77 -63.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -29.39 69.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -81.87 -31.62 31.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.684 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 26.1 t -72.45 -32.86 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.82 -35.41 81.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -39.23 79.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . 0.43 HD12 HG22 ' B' ' 60' ' ' ILE . 40.3 mm -63.15 -39.92 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.4 ' CG ' ' HG ' ' A' ' 37' ' ' LEU . 21.2 mt -58.18 -34.91 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -40.24 93.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.421 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.77 -34.43 76.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.347 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.11 -36.0 70.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.778 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -61.47 -35.06 76.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -73.82 -39.16 64.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.466 HG13 ' N ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -71.53 -33.82 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.328 -179.574 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.466 ' N ' HG13 ' B' ' 67' ' ' ILE . 12.5 pt-20 -74.53 -41.83 59.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -65.52 -33.06 75.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.402 ' HB3' HG12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -72.75 -33.8 66.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.716 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.409 ' HA ' ' CD1' ' A' ' 15' ' ' ILE . 3.2 tt0 -67.66 -35.9 79.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.061 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -58.48 -40.89 83.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.8 ttp -73.97 -32.13 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.272 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.413 ' HB2' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -75.39 -35.29 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.987 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -43.36 55.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.794 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -68.8 -32.29 71.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -68.32 -46.64 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.401 ' HA ' ' CD2' ' B' ' 81' ' ' LEU . 4.6 tm-20 -69.46 -31.73 70.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.91 0.386 . . . . 0.0 110.763 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 mp -80.02 -21.6 43.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.634 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 29.6 t -77.84 -43.59 29.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' B' ' 78' ' ' GLU . 2.7 pp -63.68 -47.43 81.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.831 0.348 . . . . 0.0 110.752 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 172.08 119.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.791 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -58.05 -29.86 65.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.343 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -32.07 72.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.003 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 57.8 m -50.71 -25.0 3.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 tp -65.28 -29.61 70.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.597 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -61.1 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.274 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -29.65 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.306 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.27 -37.27 86.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.773 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -32.09 73.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.96 -40.2 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -62.76 -49.48 74.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -44.89 94.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -31.53 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.23 80.2 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -99.87 29.61 4.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.46 109.38 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -174.69 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -136.64 43.95 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 mt 62.54 148.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -130.44 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -104.45 -55.18 2.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.004 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.902 0.382 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.87 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -29.9 71.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -78.51 -46.19 20.18 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 109.791 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -64.52 -35.7 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.946 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.42 -39.61 85.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.758 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.41 -48.75 76.3 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.154 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.401 HG23 ' CD ' ' B' ' 74' ' ' LYS . 21.1 mm -63.16 -35.37 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.349 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.42 -44.94 80.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.11 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -42.34 95.78 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -62.4 -34.68 77.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.872 178.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.77 -45.95 91.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.19 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -40.36 88.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.343 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.89 -49.45 77.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.677 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.414 HD11 ' HA ' ' B' ' 71' ' ' GLN . 3.5 mt -66.1 -42.88 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.056 0.455 . . . . 0.0 110.456 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.97 -41.24 96.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.367 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -39.0 76.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.251 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' B' ' 67' ' ' ILE . 0.4 OUTLIER -60.45 -43.53 96.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.509 179.655 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.87 -39.85 91.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.621 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -60.3 -41.49 93.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.567 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.8 mtm -65.27 -41.36 94.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -66.24 -44.04 84.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.802 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -39.56 80.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.737 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.15 -40.55 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -63.99 -38.01 89.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -48.52 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.81 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.77 -31.94 71.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.729 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.49 -37.85 73.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.397 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -55.93 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.384 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.03 122.87 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.303 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.26 -29.22 46.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.011 0.434 . . . . 0.0 110.032 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.75 -29.12 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.729 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.3 m -50.43 -25.04 3.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.614 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.7 -27.14 64.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.433 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -72.96 -53.72 10.51 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.675 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -32.1 73.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.1 -41.54 77.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -66.89 -50.01 63.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.65 -35.87 77.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -41.7 93.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.754 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -47.8 84.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.37 -25.59 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.023 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -27.9 63.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.081 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.5 29.55 6.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -33.52 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.815 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 154.56 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -68.27 81.57 0.24 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.54 103.67 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -76.14 -64.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -175.4 -40.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -175.47 -45.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.74 -31.94 67.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -80.54 -31.79 36.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.443 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.3 t -68.19 -32.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.631 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.54 -35.97 82.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -31.34 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.816 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.0 mm -59.62 -34.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.72 -41.08 90.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -42.22 98.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.498 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.65 -34.67 78.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -57.92 -38.92 76.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.668 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -71.13 -36.17 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.609 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.23 -40.05 96.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.572 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.524 HG13 ' N ' ' B' ' 68' ' ' GLU . 5.7 pt -73.56 -33.61 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.788 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.524 ' N ' HG13 ' B' ' 67' ' ' ILE . 3.2 mt-10 -72.03 -42.8 65.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.57 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.62 -40.9 89.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.0 110.409 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.94 -28.16 62.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.499 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.414 ' HA ' HD11 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -74.3 -31.9 62.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -44.76 92.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 7.1 ttm -68.11 -32.04 72.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.778 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.407 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -72.84 -47.05 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.007 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.33 -35.08 71.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -71.67 -32.46 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -72.69 -46.56 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -66.79 -32.86 74.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.736 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.43 -47.96 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 57.5 p -62.78 -29.48 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -66.01 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.695 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 174.88 119.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.543 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -29.82 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.314 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.44 83.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.894 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 58.6 m -50.83 -25.6 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.646 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.15 -29.15 69.39 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.444 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -52.35 60.72 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -68.1 -30.5 69.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.212 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.56 -34.88 79.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.674 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -35.66 77.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.87 -44.37 93.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -31.67 65.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -79.28 -37.19 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -59.95 -32.35 70.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.22 61.5 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -99.85 -23.31 15.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -31.7 71.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.801 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -168.81 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.21 -47.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 75.0 mt 55.5 94.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -128.67 117.86 21.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -115.44 163.48 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.938 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.872 0.368 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -152.68 -47.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 6' ' ' GLU . 6.0 tmtt? -70.49 -38.58 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -38.37 62.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.57 -44.91 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.71 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 3' ' ' LYS . 11.1 pt-20 -61.11 -39.3 89.47 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -48.93 77.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.885 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mm -60.26 -37.1 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.168 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.58 -40.58 87.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.149 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -46.26 90.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.494 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -62.14 -37.48 85.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.846 178.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -59.34 -40.88 87.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.547 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -64.76 -46.72 80.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.435 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.65 -41.72 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.1 mt -67.5 -49.58 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -61.08 -34.48 74.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.369 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.26 -44.15 92.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.43 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.15 -40.98 91.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.545 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -62.67 -46.09 89.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -60.29 -45.75 92.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.3 mtm -64.42 -39.44 93.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -68.84 -45.4 71.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.7 -38.4 86.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.32 -32.31 72.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -42.76 65.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.45 -38.21 89.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.9 mt -60.37 -30.23 69.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.737 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -54.76 -39.75 68.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.377 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.41 -57.2 4.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.331 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 167.52 125.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.085 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -25.87 26.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.86 0.362 . . . . 0.0 110.388 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.75 -31.44 71.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 m -50.51 -25.22 3.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.57 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 9.6 mt -60.29 -27.01 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.727 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -53.07 61.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.001 0.429 . . . . 0.0 109.9 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.04 -31.65 70.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.799 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HG ' ' CD1' ' B' ' 61' ' ' LEU . 4.3 tt -63.91 -38.94 92.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.8 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -50.6 31.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -33.86 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -47.26 61.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -41.62 75.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.75 -28.83 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -59.21 -42.51 91.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.18 29.55 4.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.6 tp -96.83 146.82 24.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 60.37 36.9 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -168.81 87.55 0.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.84 -61.11 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -130.88 -46.44 1.03 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -133.7 162.77 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.76 0.315 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -82.81 -27.36 30.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -57.4 -33.73 68.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -81.83 -32.29 31.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 46.0 t -74.28 -32.76 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.774 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -71.01 -35.57 72.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.54 -36.39 76.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 60' ' ' ILE . 44.0 mm -66.61 -42.23 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.048 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.407 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 6.3 mt -59.33 -34.33 72.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -59.43 -33.5 71.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.362 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.38 -34.25 75.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.35 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.411 ' HA ' HG22 ' B' ' 67' ' ' ILE . 21.1 tt0 -55.89 -35.76 66.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -38.49 86.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -69.36 -49.41 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.411 HG22 ' HA ' ' B' ' 64' ' ' GLU . 7.8 tt -66.0 -34.02 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.64 -39.54 94.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -66.61 -41.0 89.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.787 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -29.39 63.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -40.24 68.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -43.06 99.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 22.7 ttm -67.41 -32.08 72.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.494 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.64 -47.91 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.98 -36.26 81.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.082 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -70.22 -32.73 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -73.95 -46.75 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.408 ' HA ' ' CD2' ' B' ' 81' ' ' LEU . 10.1 tm-20 -68.23 -31.36 70.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.786 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tt -78.16 -21.37 50.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.4 t -79.51 -46.93 16.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' B' ' 78' ' ' GLU . 1.8 pp -63.96 -55.13 24.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 177.12 119.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -26.83 62.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.736 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.22 -33.17 74.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 19.5 m -50.7 -25.11 3.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 tp -65.56 -29.17 69.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.712 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -72.59 -35.85 68.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.762 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.25 -30.53 68.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.777 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.7 -33.54 75.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -61.82 -52.22 65.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -31.29 72.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -39.29 33.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -76.35 -41.45 48.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -64.55 -43.11 94.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -78.08 62.65 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -103.42 29.53 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 tp -83.97 179.5 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 23.9 ptt85 -64.76 94.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.91 -56.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.9 tt -124.51 116.42 22.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.78 147.76 7.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -122.56 -58.34 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.929 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.815 0.34 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -76.29 -35.06 59.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -28.29 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.411 ' CB ' HD22 ' B' ' 81' ' ' LEU . 22.1 mm-40 -78.35 -38.61 41.6 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.087 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.8 t -70.58 -33.08 51.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.078 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.36 -53.59 34.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.162 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.84 -32.44 70.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.155 0.502 . . . . 0.0 110.1 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.465 HG22 ' HG2' ' B' ' 78' ' ' GLU . 1.3 mp -65.79 -48.04 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.25 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.449 ' CD1' ' HG ' ' B' ' 89' ' ' LEU . 1.1 mp -57.22 -40.67 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -48.55 81.26 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.197 0.522 . . . . 0.0 109.759 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -34.41 76.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.662 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -44.05 86.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.03 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.21 -43.72 98.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.955 179.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -44.45 83.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.376 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.416 ' CG1' ' HB3' ' B' ' 70' ' ' LEU . 5.0 mt -71.53 -38.02 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.691 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.15 -36.0 81.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.42 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -42.0 74.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.663 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.0 -40.66 71.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.773 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -68.31 -34.51 76.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -68.62 -45.87 70.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.1 ptp -63.35 -37.48 87.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -64.02 -46.62 83.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.2 -39.69 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -37.69 78.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -66.61 -41.12 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -45.01 77.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.7 -38.23 87.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.691 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -57.71 -32.72 67.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.659 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.9 -56.76 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.442 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.51 121.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.341 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.52 -29.31 50.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.949 0.404 . . . . 0.0 110.172 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.19 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.845 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.0 m -50.59 -25.04 3.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.606 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -58.5 -28.17 65.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.424 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -46.57 71.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.604 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -36.9 76.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.64 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tt -66.61 -37.74 85.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.844 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -40.61 69.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.48 -36.01 81.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -79.28 -31.05 43.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -80.17 -37.78 32.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -67.63 -38.74 84.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.02 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.45 -31.35 70.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -23.23 48.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -89.35 -30.62 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 171.78 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -160.48 87.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.46 -179.19 6.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.16 153.07 20.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -155.5 144.34 20.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.747 0.308 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -130.98 -45.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -36.24 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -81.12 -32.63 33.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 26.3 t -74.0 -32.81 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.774 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -36.32 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.76 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.68 -31.63 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mm -60.94 -33.52 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.776 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.29 -45.4 94.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.679 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.42 96.95 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.689 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.34 -34.56 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.72 -35.93 73.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -48.44 80.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -49.21 78.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.506 HD13 HG22 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -67.69 -34.49 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.1 -34.48 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.682 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -62.37 -50.02 73.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.719 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.416 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 1.4 mt -64.17 -39.51 94.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.696 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -39.49 94.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -47.61 81.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 4.1 ptp -67.1 -32.14 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.479 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -49.92 66.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.506 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.12 -48.83 77.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.08 -32.06 73.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.4 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -63.68 -46.75 84.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.708 -179.599 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -74.12 -36.45 64.2 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.597 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 tt -74.32 -17.5 60.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m -81.12 -46.54 14.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.2 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 78' ' ' GLU . 1.2 pp -65.83 -58.07 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.963 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' B' ' 81' ' ' LEU . 7.1 t 179.04 121.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.865 0.364 . . . . 0.0 110.775 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.78 -25.61 29.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.07 -30.78 70.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.599 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.57 -25.36 4.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.948 0.404 . . . . 0.0 110.497 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.59 -29.19 64.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.401 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -70.34 -61.64 1.69 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.421 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -62.45 -30.41 71.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.405 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.449 ' HG ' ' CD1' ' A' ' 9' ' ' LEU . 9.9 tt -65.05 -36.44 84.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.895 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -30.86 70.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -33.08 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -77.01 -31.84 56.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.28 -38.08 31.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.51 -28.74 68.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.991 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -63.45 -17.3 62.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.288 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -55.61 -23.27 26.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.774 0.321 . . . . 0.0 111.196 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.45 172.38 9.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -159.63 39.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.01 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.12 166.83 23.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.1 mp -141.97 -48.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.92 93.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.54 90.65 3.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.789 0.328 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -116.93 -19.82 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.364 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -64.02 -31.41 72.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.76 0.314 . . . . 0.0 111.169 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -79.99 -44.27 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.078 0.466 . . . . 0.0 110.039 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.6 t -65.82 -35.31 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.096 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.35 -40.05 74.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.008 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -56.3 -46.75 79.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.341 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.402 ' CG2' ' HD2' ' B' ' 74' ' ' LYS . 6.0 mm -64.32 -40.34 88.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.464 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.28 -44.82 80.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.881 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -41.33 94.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' CD2' ' CD2' ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.62 -37.12 85.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.373 178.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 15' ' ' ILE . 2.9 tt0 -57.88 -42.65 85.04 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.854 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -32.99 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.586 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.72 -47.16 64.1 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.796 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' B' ' 70' ' ' LEU . 12.8 pt -67.71 -35.68 73.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.959 0.409 . . . . 0.0 110.537 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -45.49 71.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -40.49 94.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.249 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.422 ' HB3' ' CD1' ' B' ' 67' ' ' ILE . 0.2 OUTLIER -69.64 -36.35 76.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.39 179.593 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -73.02 -36.13 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.643 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -66.89 -37.63 84.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.616 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.4 ptp -73.75 -33.19 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.425 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -72.47 -46.62 54.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.731 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -38.06 85.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.765 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -66.87 -37.89 85.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -66.15 -45.43 81.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.654 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -68.55 -45.41 72.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.77 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.47 -32.6 74.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.52 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -59.53 -39.23 83.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.467 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.67 -49.04 67.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.417 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 173.8 121.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.348 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -54.6 -28.77 48.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.964 0.411 . . . . 0.0 110.097 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.5 -28.99 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.813 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.5 m -50.31 -24.98 3.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.744 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.88 -29.22 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.368 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -52.75 15.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.484 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -64.36 -37.02 86.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.38 -40.58 93.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.832 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -50.9 70.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -62.68 -36.55 83.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.808 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -65.24 -31.72 73.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.811 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -44.8 92.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.1 -25.23 51.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -26.18 55.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -23.27 37.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.01 148.73 34.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -111.41 164.56 12.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.69 121.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp -103.16 -43.99 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.812 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -94.39 155.56 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 60.79 156.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.829 0.347 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -76.95 -29.11 55.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -38.49 80.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -80.14 -29.2 38.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.46 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 46.2 t -74.43 -32.83 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.793 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.18 -32.63 73.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.777 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.31 -31.55 72.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 22.9 mm -65.08 -40.67 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.9 -44.84 91.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -61.5 -34.8 76.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 110.27 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -34.5 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.329 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -57.3 -35.97 70.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.61 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -55.55 -35.01 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.59 -37.08 65.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.712 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.422 ' CD1' ' HB3' ' A' ' 18' ' ' LEU . 1.1 mm -76.14 -33.94 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.324 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.34 -43.07 74.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.486 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.49 -33.04 72.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.428 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -71.49 -43.16 67.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.433 179.589 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.4 -44.14 97.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.811 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -47.47 86.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.798 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 1.7 tpp -65.16 -32.01 73.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.332 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.402 ' HD2' ' CG2' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -68.02 -52.42 35.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.833 179.767 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.66 -40.65 95.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.779 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -63.19 -32.28 73.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.27 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -46.72 54.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.325 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.53 -29.31 66.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.72 -44.03 64.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.525 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -67.05 -27.64 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.631 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -69.57 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.757 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 176.99 120.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.593 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.71 -28.67 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.43 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.41 74.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.95 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 74.8 m -50.54 -25.3 3.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.782 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.72 -30.32 71.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.562 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.36 -56.79 12.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.375 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.84 -28.7 67.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.41 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.3 tt -70.54 -34.11 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -34.01 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.71 -43.1 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -41.37 95.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -80.35 -22.5 41.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -73.97 -30.61 62.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.102 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -14.29 62.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.484 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.15 -23.25 67.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.669 0.271 . . . . 0.0 111.346 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.85 -36.14 82.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -177.52 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -69.45 162.82 26.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 6.7 mt -62.49 104.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -103.2 174.25 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.09 166.43 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.787 0.327 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -173.99 -44.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -38.77 91.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -74.47 -39.23 62.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 t -66.08 -37.3 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.069 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.74 -42.65 95.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.006 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -48.07 78.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.388 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' B' ' 77' ' ' GLN . 3.1 mm -60.92 -35.02 61.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.532 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -42.65 96.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.238 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -49.07 78.96 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -34.38 76.55 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.541 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.03 -44.17 97.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.06 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -59.33 -44.11 92.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -48.09 78.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.627 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -69.17 -36.44 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.404 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -41.33 98.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.7 -32.47 71.07 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.054 0.454 . . . . 0.0 109.925 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.482 ' HB3' ' CG1' ' B' ' 67' ' ' ILE . 0.1 OUTLIER -62.38 -50.54 71.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.532 179.413 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -63.71 -44.67 92.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -36.16 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.546 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.1 mtm -73.44 -34.31 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.49 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -68.13 -44.64 75.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.842 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -67.87 -39.88 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -35.41 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.402 ' HB3' ' CD1' ' B' ' 60' ' ' ILE . 27.0 mt-30 -72.86 -43.66 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -36.25 83.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.623 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.76 -18.92 55.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -78.72 -46.03 19.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.968 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -44.3 92.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 0.0 110.517 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 33' ' ' SER . 0.1 OUTLIER 175.63 119.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.688 179.609 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.86 -29.81 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.018 0.437 . . . . 0.0 110.235 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.69 69.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.41 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 30' ' ' THR . 4.8 m -50.43 -25.15 3.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.914 0.388 . . . . 0.0 110.677 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.31 -30.81 69.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.596 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -68.27 -56.2 9.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.566 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -63.56 -33.02 74.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.422 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.07 -44.49 79.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.849 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -69.29 -33.51 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.788 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -75.57 -31.12 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -71.14 -41.71 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -79.34 -31.32 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -77.62 -23.47 49.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -48.04 79.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.17 -23.24 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.1 43.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.68 140.6 20.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.788 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.94 167.12 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.1 -75.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.8 131.84 49.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -86.39 148.51 25.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -55.89 -32.8 64.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -65.22 -28.97 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.94 -29.98 31.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.776 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 t -73.86 -35.16 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.993 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.74 -34.95 76.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.64 -33.43 74.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 33.1 mm -70.67 -46.23 70.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 29.3 mt -58.17 -31.35 67.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -35.1 74.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.253 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mt -65.93 -34.1 77.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.452 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.408 ' HA ' HG21 ' B' ' 67' ' ' ILE . 4.3 tt0 -55.86 -35.82 66.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.76 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -36.61 83.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.06 -49.34 52.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.72 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.482 ' CG1' ' HB3' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -68.09 -34.08 64.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.33 -42.16 65.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.1 -36.89 80.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.75 -27.87 62.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.827 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -73.61 -28.6 61.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -65.47 -43.13 91.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -32.13 68.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.077 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -38.71 69.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -71.14 -44.29 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -65.62 -32.24 73.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.406 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -68.52 -46.71 68.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.66 -29.04 66.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.791 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.85 -21.19 44.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.746 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 -43.33 33.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.006 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.99 -46.69 80.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.704 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 174.79 119.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.48 -30.29 64.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.286 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -29.55 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.019 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 54.0 p -50.53 -25.2 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.744 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -61.85 -30.08 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.64 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -50.22 59.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.56 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -69.26 -30.44 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.42 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.37 -34.79 78.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.959 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -71.67 -30.38 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -69.3 -45.48 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -30.64 71.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -73.34 -30.76 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.84 -41.15 83.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.005 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -77.81 -6.99 55.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.404 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -76.77 -23.14 52.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.734 0.302 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -85.39 -55.05 4.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.831 0.348 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.11 168.85 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.23 108.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.48 -50.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.85 -173.93 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.35 171.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.894 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.707 0.289 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -173.69 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.91 -32.78 71.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -76.91 -44.28 32.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.039 0.447 . . . . 0.0 109.812 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.2 t -66.22 -37.51 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.186 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.8 -43.14 97.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.916 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -46.44 84.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.37 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.404 ' CD1' ' HB3' ' B' ' 77' ' ' GLN . 2.2 mm -61.05 -40.03 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.527 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -41.65 79.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.326 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -44.08 97.13 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' CD2' ' CD2' ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.25 -34.61 76.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.663 179.009 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -62.33 -38.97 91.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.84 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -33.31 75.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.07 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.39 -41.23 69.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.406 ' CG2' HD12 ' B' ' 67' ' ' ILE . 12.2 mt -71.18 -47.74 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.68 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -34.41 77.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.579 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.35 -42.24 83.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.472 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -39.84 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.458 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -46.03 92.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.583 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -58.8 -42.36 88.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.632 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 tpp -64.4 -32.42 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -52.4 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.669 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.77 -30.6 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.656 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.92 -35.66 67.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -73.3 -38.33 65.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.775 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -38.43 64.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.797 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.3 mt -66.7 -31.84 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.771 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -58.94 -40.51 84.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -60.69 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.536 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 t 173.62 126.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.445 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -54.62 -25.78 28.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.985 0.422 . . . . 0.0 110.309 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.48 75.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.17 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -50.51 -25.29 3.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.718 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.18 -26.76 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.561 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -58.63 -53.7 55.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.396 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -68.97 -31.59 70.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.332 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 tt -67.89 -35.64 78.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.65 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.17 -44.99 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.771 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.49 -31.58 69.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -43.93 57.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 -67.62 -43.05 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -64.15 -36.46 84.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -76.14 -31.86 58.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -80.61 -23.31 39.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.17 31.17 6.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.61 170.06 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.773 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -129.13 130.96 47.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 pp -172.61 -178.67 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.66 127.23 17.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 65.48 -75.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.775 0.321 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -110.87 -19.78 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -59.09 -43.03 91.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 111.063 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -78.73 -30.19 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.343 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 26.2 t -74.2 -32.73 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.753 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -38.15 84.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.682 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -29.52 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.727 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.64 -36.12 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.65 -34.2 77.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -63.79 -40.03 95.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -34.52 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -56.68 -47.26 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -35.11 75.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -49.51 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.471 HG22 HD13 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -68.29 -34.62 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.18 -42.33 75.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.573 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.59 -38.79 77.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.638 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.402 ' CD2' ' CD2' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -64.83 -29.72 70.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.694 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -37.24 68.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -59.37 -42.11 90.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.8 ttm -63.87 -32.04 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.737 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -52.38 54.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.06 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.55 -39.84 77.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -70.82 -32.35 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.691 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -73.68 -46.7 44.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -32.67 64.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.732 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.6 tt -80.36 -17.96 50.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -82.11 -42.11 19.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.51 -49.21 67.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.723 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 179.81 119.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.73 -29.09 66.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.437 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.39 -30.71 70.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.154 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 48.3 m -50.65 -25.19 3.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.11 -30.78 70.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.42 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.49 -55.31 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.289 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -65.55 -31.16 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.238 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.14 -38.13 89.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.619 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -71.75 -42.73 66.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.53 -44.22 94.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.761 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -38.77 77.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.75 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -69.95 -53.88 15.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.32 -51.08 71.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -79.28 60.98 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.06 -23.21 22.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.048 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.51 176.55 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.74 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 61.39 -164.67 0.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.696 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 64.1 -178.2 0.16 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 2.5 mp 60.77 156.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 60.18 91.1 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -164.62 91.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.844 0.354 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -123.91 -1.5 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.586 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -69.52 -46.31 66.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.746 0.308 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -73.99 -38.94 63.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.19 -42.21 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.912 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -38.16 88.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.689 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.22 -45.38 87.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.108 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.411 HG23 ' CD ' ' B' ' 74' ' ' LYS . 5.4 mm -61.18 -38.91 80.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.509 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -56.37 -48.83 76.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.477 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -44.51 94.92 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -34.6 77.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.864 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.34 -44.48 96.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.189 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -60.16 -42.75 95.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.545 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.2 -49.3 78.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -65.22 -44.3 95.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.602 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.47 -37.12 74.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.631 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.71 -41.93 74.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.574 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -36.38 81.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.719 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -65.85 -46.49 78.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.654 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -34.37 75.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.4 tpp -67.61 -41.77 83.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -65.7 -48.93 70.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.738 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -63.66 -40.55 97.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.696 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -65.42 -32.48 74.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -72.0 -46.56 56.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.54 -34.53 74.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.498 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -22.71 57.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.615 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 t -74.6 -48.08 28.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' CD1' ' CB ' ' A' ' 33' ' ' SER . 1.5 pp -67.0 -46.36 74.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.836 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 174.62 119.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.75 -34.92 71.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.182 0.515 . . . . 0.0 109.659 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.55 74.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.732 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.418 ' CB ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -50.62 -25.2 3.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.739 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.07 -26.2 68.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.652 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -55.69 -55.57 30.68 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.909 0.385 . . . . 0.0 110.575 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -64.44 -30.17 71.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.332 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tt -64.51 -43.29 94.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.58 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -67.34 -39.14 85.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.599 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -72.82 -31.44 64.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.676 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 tpt85 -68.28 -39.43 82.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.773 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -61.67 -42.53 99.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.22 -47.9 83.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -65.5 -30.93 71.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -23.2 33.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.81 117.96 30.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.56 174.26 11.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.02 -46.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 pp -77.5 133.82 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -117.15 179.01 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.988 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -40.67 85.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -70.28 -33.2 71.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.3 -27.92 68.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -80.28 -30.79 38.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 20.1 t -70.26 -38.91 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.78 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.54 -33.59 60.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -28.65 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 27.1 mm -76.7 -35.92 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.57 -36.56 83.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.59 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -61.3 -35.07 76.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.653 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.53 -34.73 76.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.53 -35.86 72.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -37.53 78.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.682 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -69.6 -49.26 55.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -34.03 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -48.89 78.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.48 -38.8 90.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -35.94 67.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.799 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.46 -36.23 65.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -66.96 -40.69 87.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 18.4 ttm -66.91 -31.97 72.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.411 ' CD ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.78 -50.95 30.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.101 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.59 -32.09 72.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -71.92 -33.09 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.08 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -74.03 -46.81 41.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.135 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -70.04 -29.1 66.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.717 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.46 -40.92 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.746 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -65.07 -31.13 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.718 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -70.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.817 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t 176.57 125.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -54.67 -26.48 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.362 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.49 -31.99 72.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.848 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.54 -25.16 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.744 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.22 -28.41 69.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.587 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -43.19 78.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.547 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -62.82 -27.34 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.723 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.2 -43.15 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.69 -53.9 52.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.02 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.25 -35.42 75.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -71.7 -47.63 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -21.68 61.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.225 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.34 -25.46 34.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.221 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -79.34 54.59 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.197 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -107.65 -23.28 12.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.93 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -169.34 0.93 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.93 103.74 13.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -123.44 -175.95 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -77.12 122.73 25.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -60.52 138.12 58.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.3 31.31 20.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.925 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.926 0.393 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -107.89 -26.38 10.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -60.3 -28.1 67.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -80.1 -44.88 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.098 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.67 -33.95 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.279 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -68.76 -46.55 68.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.227 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.29 -36.37 73.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.235 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.417 HG21 ' HD2' ' B' ' 74' ' ' LYS . 11.5 mm -65.16 -45.03 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.571 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.8 mp -56.16 -45.88 79.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.521 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -59.94 -42.29 93.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.404 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.1 OUTLIER -63.58 -38.72 92.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.614 178.713 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.88 -39.3 74.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.035 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -65.65 -43.94 87.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.906 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.62 -43.26 99.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.398 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.11 -51.48 59.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -34.52 71.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.57 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.71 -38.25 83.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.658 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.72 -50.39 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.656 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.53 -37.72 82.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.625 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -59.45 -47.35 85.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 43.7 mtm -63.69 -32.15 73.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -62.75 -49.48 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.11 -38.92 92.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -66.23 -33.15 75.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.659 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.84 -46.13 46.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.04 -31.63 72.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.725 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -22.35 44.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.499 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -45.51 47.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' CD1' ' OG ' ' A' ' 33' ' ' SER . 1.0 OUTLIER -65.23 -45.41 84.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.358 . . . . 0.0 110.615 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 174.43 119.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.7 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.75 -28.82 61.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.78 70.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.2 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.4 ' OG ' ' CD1' ' A' ' 29' ' ' LEU . 27.3 m -50.59 -25.1 3.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.49 -29.31 70.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.652 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -61.73 1.69 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -31.75 71.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.543 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.79 -40.46 96.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.524 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -41.01 84.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.764 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -37.51 77.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.4 ttt-85 -65.65 -42.17 91.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -34.52 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.15 -32.21 44.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -59.8 -29.38 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -96.86 24.16 6.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tp -117.7 100.03 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 61.27 102.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.76 109.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.75 142.55 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -97.36 104.89 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.22 158.27 37.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.779 0.323 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -51.38 -30.53 19.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -31.81 72.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.727 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.85 -30.87 31.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.717 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t -75.93 -33.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -38.22 86.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.774 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -33.17 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 33.0 mm -70.66 -44.73 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.27 -39.42 90.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.74 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -40.13 93.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.465 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.61 -34.31 76.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.679 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -55.92 -35.88 67.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -36.2 81.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.81 -49.6 44.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -34.12 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.513 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -63.7 -43.67 95.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.81 -32.38 72.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.347 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.11 -40.29 68.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.471 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -68.92 -46.62 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.795 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -34.25 74.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 16.4 ttt -69.79 -42.67 73.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.417 ' HD2' HG21 ' A' ' 8' ' ' ILE . 1.6 ttpp -69.05 -43.28 75.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.51 -30.46 71.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -33.49 66.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.037 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -46.64 62.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -64.55 -40.17 95.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.631 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -47.19 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.553 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -61.88 -32.53 72.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.333 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -63.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.577 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t 170.62 123.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.331 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -54.3 -27.54 36.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.422 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.58 -36.69 81.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.895 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.59 -25.16 3.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.644 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tp -63.34 -29.38 70.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.427 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -53.82 48.4 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -63.23 -27.73 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.87 -47.42 86.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.904 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -51.93 67.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.12 -35.44 69.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.026 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -79.48 -37.63 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -42.91 65.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -26.72 41.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.975 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.35 63.38 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -106.11 16.75 24.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.94 29.84 7.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.876 0.369 . . . . 0.0 110.759 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.12 87.98 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -66.94 160.35 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 8.3 tp -79.66 91.71 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -68.26 84.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -95.72 145.25 25.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.902 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.87 0.367 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -173.5 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -30.24 71.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.55 -45.61 21.42 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.99 -35.15 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.83 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -65.21 -43.11 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.655 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.98 -42.28 79.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.918 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mm -60.67 -42.32 91.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.19 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -47.94 83.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.327 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -63.16 -44.1 96.43 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' CD2' ' CD2' ' B' ' 70' ' ' LEU . 0.9 OUTLIER -63.05 -34.34 77.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.758 178.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -43.89 97.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.995 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -63.24 -37.58 87.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.673 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.57 -47.26 84.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.905 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.435 HG12 ' HB3' ' B' ' 70' ' ' LEU . 13.0 mt -64.32 -50.99 73.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.367 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -58.57 -34.44 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.377 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.73 -46.27 90.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.281 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -35.89 79.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.392 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -54.44 21.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -61.81 -37.48 84.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mtm -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.566 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -67.11 -49.04 66.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.873 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.45 -37.71 88.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.745 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -43.1 80.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.652 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -45.09 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.674 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -69.85 -43.23 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.99 -28.95 70.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -45.08 92.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.526 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -51.5 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.369 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 t 171.22 124.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.313 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -25.77 27.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.353 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.98 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.067 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.0 m -50.44 -24.99 3.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.35 -29.37 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.474 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -46.18 51.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.304 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -38.77 72.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.381 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tt -68.09 -36.05 79.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -66.5 -50.63 62.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -62.8 -31.63 72.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.27 -31.81 43.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -69.65 -32.58 71.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -65.04 -34.35 78.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -54.25 33.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.29 -23.28 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.049 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.73 98.87 8.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.956 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -169.1 42.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 61.48 112.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mp -90.68 -31.51 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.63 142.79 51.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -131.94 -65.69 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -81.82 -22.87 36.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -33.07 59.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.83 0.348 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -81.92 -32.16 31.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.51 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 40.8 t -73.95 -32.88 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.791 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -63.09 -38.41 91.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.68 -31.84 71.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 41.3 mm -69.01 -42.11 81.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 24.9 mt -57.28 -38.99 74.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -33.72 76.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.966 0.412 . . . . 0.0 110.227 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 7.8 tt -70.16 -34.52 73.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.409 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.15 -35.85 70.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.796 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.409 ' HA ' ' HG2' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -70.72 -31.2 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.779 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -44.57 55.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.745 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.406 HG23 ' N ' ' B' ' 68' ' ' GLU . 0.0 OUTLIER -67.41 -41.98 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' B' ' 65' ' ' LYS . 16.4 pt-20 -64.96 -40.18 94.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.842 0.353 . . . . 0.0 110.586 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.75 -32.52 71.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.435 ' HB3' HG12 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -71.31 -35.27 71.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.632 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.92 -37.03 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.767 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -67.06 -36.45 82.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 23.4 ptm -73.96 -33.26 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.467 ' HB3' ' HE3' ' B' ' 74' ' ' LYS . 2.6 ttpp -72.78 -42.97 63.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.49 -36.54 78.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.22 -32.25 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.661 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -69.35 -46.52 66.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.281 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -65.29 -40.27 93.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.896 0.379 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 tp -66.13 -44.5 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.693 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.6 t -60.4 -31.11 70.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.534 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -65.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.638 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 176.35 120.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.524 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -54.52 -27.97 41.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.427 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.87 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 68.6 m -50.61 -25.18 3.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.537 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.88 -30.51 70.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.446 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -67.21 -50.83 59.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.388 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -71.72 -29.73 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.402 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 10.1 tt -71.07 -34.1 70.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -65.47 -36.9 85.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.46 -43.68 98.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -66.72 -36.45 82.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -76.61 -36.17 57.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -34.07 75.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -79.34 56.05 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.123 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.66 26.93 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.995 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.53 104.01 16.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -100.73 83.32 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.97 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -134.43 -47.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.65 -18.51 59.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 61.5 105.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.912 0.387 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -112.01 -56.34 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.885 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -119.16 -42.68 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -29.82 68.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -75.08 -42.73 56.16 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.46 -38.31 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.911 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.18 -42.4 99.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.642 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.88 -42.51 84.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.231 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mm -61.45 -44.26 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.484 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.433 HD11 ' HG ' ' B' ' 89' ' ' LEU . 0.3 OUTLIER -56.44 -38.93 72.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.29 179.68 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -65.19 -46.68 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -34.5 76.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.598 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -59.17 -45.33 91.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.103 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -43.04 99.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.418 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.24 -49.46 77.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.704 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -64.47 -48.96 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.48 -34.44 74.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -40.01 92.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.375 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -41.83 99.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.531 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -45.62 93.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.675 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -42.44 99.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.674 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.0 mtm -65.39 -43.16 91.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.643 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -65.98 -43.47 87.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.716 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -35.98 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.697 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -71.11 -40.08 71.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.757 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -67.6 -36.23 80.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.684 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -45.4 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.766 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.96 -35.56 81.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -59.36 -34.96 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.675 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.7 -59.85 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.799 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.32 122.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.5 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -54.49 -29.67 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.078 0.466 . . . . 0.0 110.087 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.67 -29.18 68.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.4 m -50.32 -25.16 3.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.538 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.24 -27.65 62.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.359 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -52.83 17.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.01 72.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 tt -69.09 -38.22 78.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -69.42 -40.1 77.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.39 -32.68 72.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -42.2 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -59.53 -40.46 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.03 -34.68 75.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -60.45 -22.94 64.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.3 -23.13 64.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -50.88 6.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.081 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 171.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.71 147.34 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -150.77 -62.86 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 169.75 17.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -175.98 144.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -143.7 -47.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -30.8 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -81.43 -31.66 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.45 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.8 t -70.47 -32.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.17 -44.31 97.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.47 -29.33 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 38.8 mm -60.24 -33.78 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.74 -39.81 95.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.663 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.77 -38.04 83.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.729 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -34.65 77.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.677 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -35.93 82.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -37.56 73.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -69.23 -45.88 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 11.8 tt -66.28 -35.31 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.12 -40.87 97.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -69.63 -41.17 75.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -32.13 70.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -41.28 84.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -47.58 85.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.4 -37.78 78.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -52.25 59.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.067 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -65.72 -38.74 90.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.064 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -33.58 70.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -74.13 -44.98 51.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.046 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.413 ' HA ' ' CD2' ' B' ' 81' ' ' LEU . 7.0 tm-20 -69.87 -32.35 70.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.813 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.46 -18.29 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.02 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -82.52 -41.62 19.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' B' ' 78' ' ' GLU . 2.7 pp -65.98 -49.97 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.992 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 172.67 119.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.782 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.53 -30.61 67.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.161 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.28 74.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.284 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.42 -25.12 3.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 8.2 mt -60.36 -29.04 68.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.492 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -59.32 -61.53 2.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.009 0.433 . . . . 0.0 110.322 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -27.37 69.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.127 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.433 ' HG ' HD11 ' A' ' 9' ' ' LEU . 9.4 tt -64.64 -39.62 94.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.766 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -53.64 52.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.3 -37.43 75.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -40.67 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -41.59 96.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.47 -32.02 69.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -79.54 54.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.66 -23.2 12.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.987 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tp -87.47 140.04 29.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.97 -46.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -101.31 141.01 34.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.1 150.02 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.46 172.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 60.44 165.67 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.957 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -114.63 -17.44 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.349 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -64.89 -46.94 79.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.227 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -74.05 -41.98 60.95 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.256 0.551 . . . . 0.0 109.581 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.2 t -63.75 -35.4 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.133 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.76 -42.63 90.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.758 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.61 -44.69 77.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.959 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 mm -61.27 -39.85 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.315 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.2 -41.85 76.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.21 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -45.35 93.33 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.417 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -62.19 -36.2 81.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.706 178.837 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -61.74 -35.86 79.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.18 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -69.4 -36.32 76.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.035 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.57 -32.53 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.369 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.445 ' CG2' HD12 ' B' ' 67' ' ' ILE . 61.3 mt -75.86 -50.07 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.337 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -33.91 72.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.438 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.19 -51.45 37.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.737 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' B' ' 67' ' ' ILE . 0.3 OUTLIER -62.37 -30.25 71.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.33 -40.67 67.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.746 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -68.62 -34.25 75.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.655 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.0 tpp -67.43 -47.5 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -61.87 -41.97 98.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.791 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.6 -40.93 89.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -67.01 -40.4 87.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -61.58 -42.19 98.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.794 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -70.92 -44.15 66.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.684 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.97 -31.49 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.631 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -59.23 -37.35 77.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -72.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.518 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.43 122.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.476 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.51 -28.94 48.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.958 0.408 . . . . 0.0 110.071 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.24 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.825 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.401 ' HB3' ' CG2' ' B' ' 57' ' ' VAL . 75.0 m -50.31 -25.19 3.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.04 -24.83 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -58.88 -50.46 73.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.886 0.374 . . . . 0.0 110.297 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -67.06 -33.72 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.068 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -39.64 89.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.68 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -70.58 -47.91 57.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.74 -31.21 71.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -69.89 -49.63 50.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -43.34 99.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.88 -50.31 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -31.08 69.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.71 -22.12 40.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -37.48 69.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.094 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -143.13 141.83 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.14 93.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 tp -97.69 -69.04 0.77 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.16 176.72 11.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -109.31 33.14 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 39.5 p30 -86.82 -19.5 28.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -31.18 43.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -81.91 -29.29 32.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.678 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 33' ' ' SER . 21.8 t -75.42 -32.83 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.023 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -36.06 82.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.872 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -31.06 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 38.4 mm -61.5 -33.62 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.69 -40.27 94.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.805 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -38.29 82.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.608 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.92 -34.54 77.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.595 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -57.51 -36.58 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.707 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -69.47 -39.57 77.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.65 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.94 -44.96 87.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.658 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.445 HD12 ' CG2' ' A' ' 15' ' ' ILE . 5.7 tp -70.79 -33.98 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.623 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.3 -39.52 92.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.629 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -68.87 -40.39 79.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.555 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 -30.68 64.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.779 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -74.93 -34.63 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -69.08 -43.52 74.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 3.1 ttm -61.16 -40.67 94.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.417 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -58.54 -50.04 75.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.089 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -47.94 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -35.18 78.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.354 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -45.75 48.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.134 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.38 -31.51 63.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.981 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.2 tt -72.83 -29.87 63.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.765 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 44.0 t -61.6 -33.47 73.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.624 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.46 -66.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.745 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 179.78 126.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.576 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -54.57 -25.92 29.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.956 0.408 . . . . 0.0 110.266 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.51 -34.93 78.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.802 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 50.3 m -50.82 -25.22 4.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.813 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 5.1 tp -67.64 -29.44 68.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.34 -33.22 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.451 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -69.72 -28.76 66.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 65.9 mt -60.67 -44.25 96.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -56.16 -50.05 72.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.35 -39.87 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.764 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -40.36 87.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -76.98 -30.56 56.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -74.88 -14.8 60.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -79.3 1.33 25.36 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.617 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -23.35 13.8 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.725 0.298 . . . . 0.0 111.286 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.03 82.09 2.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.889 0.376 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.68 170.86 7.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -133.75 -178.49 5.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 6.4 mp -80.0 65.9 5.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -131.81 61.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.84 112.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.879 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.796 0.331 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -119.89 -39.04 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -62.13 -29.63 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -78.8 -46.34 18.98 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 109.855 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.2 t -62.43 -38.62 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.01 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -41.32 92.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.795 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.75 -43.5 72.77 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.149 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.6 mm -63.99 -41.52 92.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.353 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.409 HD11 ' CG ' ' B' ' 89' ' ' LEU . 0.3 OUTLIER -56.34 -41.03 75.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.178 179.603 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -63.04 -44.9 94.62 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -35.26 78.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.358 178.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.435 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -55.85 -48.35 75.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.735 178.821 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -61.99 -33.92 75.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.804 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.3 -49.48 66.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.847 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.509 HG13 ' N ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -68.66 -33.61 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.978 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.509 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -70.78 -40.64 72.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.594 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -43.03 76.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.006 0.432 . . . . 0.0 110.084 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.429 ' HB3' ' CD1' ' B' ' 67' ' ' ILE . 0.2 OUTLIER -65.28 -42.16 93.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.443 179.507 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -41.91 99.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.536 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -47.5 83.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.521 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.23 -34.88 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.464 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -52.11 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.769 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -68.55 -31.85 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.46 -32.42 69.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -73.65 -43.7 58.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.54 -37.24 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.738 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.69 -29.55 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.679 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -57.8 -43.43 85.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.724 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -60.82 2.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.503 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 t 174.07 127.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.591 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.49 -25.71 27.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.998 0.427 . . . . 0.0 110.297 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.37 -28.99 68.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.13 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.9 m -50.36 -25.16 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.42 -28.32 68.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.551 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -65.14 -58.28 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.511 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -62.8 -33.84 76.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.301 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.79 -41.03 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.722 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -66.12 -46.28 78.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -30.73 71.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.828 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -71.37 -35.08 70.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -80.31 -39.34 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -25.66 65.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -56.77 -25.41 55.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.173 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -23.17 37.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.23 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -81.34 147.26 29.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.962 0.411 . . . . 0.0 110.805 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.87 159.81 4.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.87 -173.67 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.33 177.08 5.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 61.71 152.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -103.21 30.75 4.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.734 0.302 . . . . 0.0 110.756 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -57.49 -29.22 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -40.09 84.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -78.93 -28.51 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.372 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.58 -32.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.872 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.18 -36.48 81.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.79 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.74 -32.89 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 42.2 mm -66.45 -48.78 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tp -57.08 -39.69 75.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.721 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.75 72.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.019 0.438 . . . . 0.0 110.297 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 tt -68.86 -34.35 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.39 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.89 -35.91 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.695 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -56.86 -31.89 65.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.644 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -73.54 -35.79 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.536 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 18' ' ' LEU . 1.1 mm -79.84 -33.93 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.233 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -39.89 65.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.449 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -69.67 -33.11 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.328 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.407 ' HB3' HG21 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -68.09 -30.8 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.639 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.413 ' HA ' ' NZ ' ' B' ' 74' ' ' LYS . 32.7 mt-30 -73.41 -34.87 65.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -43.81 86.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.3 ttp -74.09 -31.95 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.818 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.442 ' NZ ' ' HB3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -77.57 -38.21 48.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.193 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -30.47 63.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.205 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.22 -32.34 62.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.076 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -73.89 -46.66 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -34.3 74.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.633 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.4 -43.72 59.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -60.4 -32.29 71.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -65.81 0.63 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.286 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.2 t 169.98 125.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.331 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.3 -25.88 26.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.017 0.437 . . . . 0.0 110.35 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.58 -36.59 81.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.239 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -25.34 4.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.678 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.86 -29.19 70.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.339 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -45.45 86.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.983 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -29.5 60.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.075 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.409 ' CG ' HD11 ' A' ' 9' ' ' LEU . 8.8 tt -72.76 -39.47 66.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.92 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.79 -39.6 91.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.676 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -51.3 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -72.54 -41.91 65.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.71 -26.97 68.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -65.83 77.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.73 -23.16 15.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.0 145.08 56.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.804 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -102.8 -61.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -122.9 -60.47 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 7.4 tt 68.0 -68.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.32 134.68 45.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.969 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.54 -31.93 62.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.929 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 p30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -60.92 -28.11 68.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.736 ' CB ' HD22 ' B' ' 81' ' ' LEU . 4.3 mt-30 -78.39 -38.37 41.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.123 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.411 ' CG1' HD12 ' B' ' 89' ' ' LEU . 5.5 t -73.91 -32.73 34.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.083 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -66.22 -49.37 67.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.295 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -63.3 -36.88 85.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.962 0.41 . . . . 0.0 110.143 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.797 HD11 ' CG ' ' B' ' 77' ' ' GLN . 1.2 mp -65.1 -37.26 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.054 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.475 HD13 ' HG ' ' B' ' 89' ' ' LEU . 1.9 tp -63.75 -41.65 97.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.143 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.14 -39.64 90.79 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.429 ' HB3' ' CG ' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -66.3 -38.72 88.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.632 178.787 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.78 -37.36 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.478 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -63.81 -50.22 69.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.599 ' OE1' HD21 ' B' ' 70' ' ' LEU . 8.8 pt-20 -59.35 -36.5 75.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.894 HD13 ' HA ' ' B' ' 71' ' ' GLN . 20.3 mt -72.32 -53.21 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.0 0.429 . . . . 0.0 110.345 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -34.63 70.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.465 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.89 -37.83 76.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.338 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.627 HD23 HD21 ' B' ' 63' ' ' LEU . 0.2 OUTLIER -62.67 -37.77 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.648 179.776 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.66 -37.05 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -66.93 -41.29 87.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.723 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.8 ptp -70.03 -36.67 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.68 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HG2' HG23 ' B' ' 60' ' ' ILE . 9.6 ttpp -70.12 -44.32 69.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -39.04 89.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.643 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.95 -41.11 78.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.713 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -42.59 94.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.727 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.621 ' OE2' HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -66.67 -47.17 73.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.753 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -32.41 74.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.2 t -59.82 -40.67 89.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -64.71 -58.4 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.363 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.487 HG23 ' OG ' ' A' ' 33' ' ' SER . 2.6 t 175.51 123.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.379 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.43 -25.6 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.493 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.08 -28.97 68.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.202 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.529 ' OG ' HG21 ' B' ' 57' ' ' VAL . 4.6 m -50.35 -25.14 3.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.485 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 34' ' ' LEU . 3.3 mm? -57.91 -29.03 64.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.45 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.59 -50.57 64.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.392 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -39.75 93.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.298 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.802 HD12 ' CG1' ' B' ' 57' ' ' VAL . 0.2 OUTLIER -60.0 -41.5 92.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.648 179.645 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.75 -44.37 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -45.26 95.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.769 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -61.99 -44.08 97.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.744 0.307 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -32.37 67.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.586 ' HB3' HD11 ' A' ' 29' ' ' LEU . 4.6 mm-40 -81.87 -34.01 30.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.802 ' CG1' HD12 ' A' ' 37' ' ' LEU . 30.4 t -73.15 -32.85 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.809 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.506 ' HA ' HD23 ' B' ' 61' ' ' LEU . 1.1 mt-10 -63.71 -36.04 82.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.782 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -31.18 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.535 HG23 ' HG2' ' A' ' 22' ' ' LYS . 36.5 mt -63.6 -33.88 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.687 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.9 mm? -56.59 -38.13 71.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.736 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -69.33 -32.89 72.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.559 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.627 HD21 HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -70.57 -34.58 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.714 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -59.76 -37.71 79.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.698 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -66.17 -40.54 90.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.693 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -49.38 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.71 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -67.46 -34.1 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.33 -42.84 61.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.37 -39.76 85.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.602 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.755 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -61.7 -33.51 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.615 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.894 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -69.8 -33.27 72.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.08 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -61.21 -39.06 88.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -32.05 63.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.67 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -74.19 -41.22 61.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.458 ' O ' HD23 ' B' ' 79' ' ' LEU . 3.2 mt-10 -69.93 -37.63 75.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -32.24 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.755 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.797 ' CG ' HD11 ' A' ' 8' ' ' ILE . 1.2 tp-100 -67.45 -46.38 73.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.325 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.48 -36.55 79.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 110.947 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.458 HD23 ' O ' ' B' ' 75' ' ' GLU . 4.1 mm? -75.7 -12.83 60.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 52.8 p -84.15 -44.81 13.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.302 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.782 HD12 ' N ' ' B' ' 82' ' ' THR . 3.3 pp -70.76 -54.83 10.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 0.0 111.044 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.782 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.2 OUTLIER -171.69 119.41 0.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.786 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -60.59 -31.65 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.034 0.445 . . . . 0.0 110.114 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.14 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.403 ' OG ' HD11 ' B' ' 81' ' ' LEU . 8.9 p -50.45 -25.06 3.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.792 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 86' ' ' LEU . 10.5 tp -62.41 -28.63 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -59.5 -60.67 3.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.444 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -63.43 -29.1 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.384 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.545 ' C ' HD23 ' B' ' 89' ' ' LEU . 9.1 tt -67.05 -36.3 81.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.851 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -60.21 -42.27 94.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.28 -40.67 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.08 84.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.722 0.296 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -34.82 72.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.849 ' HB3' HD11 ' B' ' 81' ' ' LEU . 5.7 mm100 -75.76 -41.57 52.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 1.063 HG12 HD21 ' B' ' 89' ' ' LEU . 13.9 t -64.43 -36.41 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.916 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -66.7 -40.41 88.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.801 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -47.62 77.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.165 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.686 HG23 ' HG2' ' B' ' 74' ' ' LYS . 27.3 mm -63.77 -34.62 69.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.336 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.752 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -57.16 -45.61 83.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.265 179.582 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -65.5 -42.87 91.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.699 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -34.61 76.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.81 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 2.7 tm-20 -64.19 -41.0 97.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.15 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -61.69 -40.85 96.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -48.39 81.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.602 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.889 HD13 ' HA ' ' B' ' 71' ' ' GLN . 10.2 mt -66.09 -48.36 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.506 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -59.58 -34.45 72.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.33 179.549 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.454 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -70.29 -33.53 71.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.487 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -51.6 40.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -60.24 -39.9 88.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.098 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HG2' ' HA ' ' A' ' 17' ' ' ASP . 15.6 ptm180 -70.21 -34.32 72.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 110.167 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 ttp -73.68 -32.86 64.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.54 -47.18 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.577 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -36.66 82.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.694 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.14 -41.23 81.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.777 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.57 -41.55 98.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.711 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' OE1' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -69.15 -42.18 76.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.709 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.2 -40.5 94.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.635 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -37.14 73.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.418 . . . . 0.0 110.27 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.1 OUTLIER -66.73 -68.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.261 179.382 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 m -166.54 120.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.329 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -54.47 -27.02 34.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.369 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.01 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.645 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.512 ' OG ' HG21 ' B' ' 57' ' ' VAL . 64.8 m -50.34 -25.01 3.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.694 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.475 HD22 ' OE1' ' A' ' 26' ' ' GLU . 1.6 mm? -59.98 -28.21 67.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.421 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -74.47 -54.44 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.732 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -36.85 85.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.615 ' HG ' HD21 ' B' ' 61' ' ' LEU . 10.2 tt -67.73 -40.8 84.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.743 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -69.14 -40.44 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.59 -44.04 97.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.74 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -63.69 -41.78 98.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.711 0.291 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -67.67 -35.51 78.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.845 ' HB3' HD11 ' A' ' 29' ' ' LEU . 57.4 mm-40 -80.28 -29.49 38.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.541 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.518 HG12 HD12 ' A' ' 37' ' ' LEU . 43.7 t -71.75 -32.75 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.633 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.533 ' HA ' HD23 ' B' ' 61' ' ' LEU . 10.7 tt0 -58.26 -43.67 88.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.448 ' OE2' HD13 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -59.64 -27.41 66.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.886 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.448 HD13 ' OE2' ' B' ' 59' ' ' GLU . 39.7 mm -64.1 -33.65 63.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.615 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.9 mm? -61.96 -41.64 98.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.653 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -59.91 -36.98 78.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.741 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.28 -34.7 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.414 ' HA ' HG22 ' B' ' 67' ' ' ILE . 8.3 tm-20 -60.33 -36.68 78.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.754 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.94 -35.69 64.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -38.4 65.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.781 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -72.98 -41.57 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.416 ' N ' HG23 ' B' ' 67' ' ' ILE . 2.8 pp20? -68.16 -36.62 79.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.604 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -69.67 -33.87 73.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.759 HD22 ' CG1' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -72.71 -34.07 66.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.622 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.889 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.7 tt0 -68.18 -41.05 82.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -58.18 -36.26 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -32.87 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.686 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -78.77 -38.35 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -74.84 -30.67 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -73.44 -32.44 64.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.444 ' HB3' HD11 ' A' ' 8' ' ' ILE . 6.6 mt-30 -71.29 -46.69 60.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.593 ' HB2' HG21 ' A' ' 8' ' ' ILE . 4.4 tt0 -63.94 -34.06 77.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 0.0 110.831 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -51.17 33.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.636 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -61.66 -28.14 69.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.849 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.4 OUTLIER -65.69 -67.17 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.683 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.647 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 174.64 119.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.607 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -28.11 43.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.447 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.54 83.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.78 -25.68 4.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -26.22 62.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.699 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -36.4 78.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.734 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -73.24 -32.47 64.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.659 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 1.063 HD21 HG12 ' A' ' 5' ' ' VAL . 64.7 mt -63.59 -32.08 73.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.762 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -53.68 55.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -66.24 -30.78 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -39.51 66.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.726 0.298 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -59.63 -29.76 68.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.196 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.774 ' CB ' HD11 ' B' ' 81' ' ' LEU . 1.2 mp0 -78.3 -44.72 24.54 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.069 0.462 . . . . 0.0 109.936 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 1.048 HG12 HD21 ' B' ' 89' ' ' LEU . 3.8 t -65.19 -35.66 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.17 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.4 -42.47 83.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.964 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.08 -46.88 78.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.701 HG23 ' HG2' ' B' ' 74' ' ' LYS . 29.2 mm -63.89 -34.08 66.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.226 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.725 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -57.12 -48.7 78.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.17 179.397 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -64.4 -40.24 95.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.18 0.514 . . . . 0.0 109.696 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -35.41 79.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.955 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.61 -42.37 95.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.385 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -43.02 99.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.72 -45.39 92.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.898 HD13 ' HA ' ' B' ' 71' ' ' GLN . 11.1 mt -69.11 -45.31 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -34.44 76.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.445 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -69.59 -39.07 77.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.474 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 0.2 OUTLIER -71.28 -34.62 70.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.857 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -40.67 74.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -67.76 -42.87 81.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.269 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.474 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 1.9 ptp -68.0 -32.03 72.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.42 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -50.14 71.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.39 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -62.65 -44.1 97.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.675 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -38.71 84.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.668 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -45.21 93.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.31 -37.91 74.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.751 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.88 -34.79 77.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.585 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -41.23 86.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -61.58 -51.36 68.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.295 179.495 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 33' ' ' SER . 1.0 OUTLIER 169.53 123.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.185 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -54.44 -25.96 28.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.7 -32.77 73.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.444 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.652 ' OG ' HG21 ' B' ' 57' ' ' VAL . 0.4 OUTLIER -50.5 -25.13 3.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.738 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 34' ' ' LEU . 1.2 mm? -61.47 -27.99 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.288 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.92 -46.65 74.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.372 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.79 -40.72 83.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.298 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.013 HD11 HD13 ' B' ' 61' ' ' LEU . 0.9 OUTLIER -59.4 -36.76 76.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.604 179.633 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -39.94 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -66.29 -45.03 81.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.967 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -64.91 -37.24 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 56.7 t30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.739 0.304 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -32.51 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.774 ' HB3' HD11 ' A' ' 29' ' ' LEU . 11.9 mt-30 -81.75 -31.59 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.502 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.652 HG21 ' OG ' ' A' ' 33' ' ' SER . 26.4 t -72.15 -32.7 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.86 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -72.06 -31.56 66.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.59 -41.92 92.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.8 mt -60.47 -33.41 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 1.013 HD13 HD11 ' A' ' 37' ' ' LEU . 3.7 tp -59.39 -37.12 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.493 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -35.3 80.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.161 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.8 -34.21 77.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.356 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' B' ' 67' ' ' ILE . 8.8 tt0 -55.86 -35.96 67.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.821 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -31.7 72.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -49.44 30.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.463 HG22 ' HA ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -69.09 -37.12 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.407 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -68.03 -41.73 81.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.552 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -69.62 -32.85 71.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.018 0.437 . . . . 0.0 110.464 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.721 HD22 ' CG1' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -72.73 -34.68 67.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.624 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.898 ' HA ' HD13 ' A' ' 15' ' ' ILE . 22.2 tt0 -70.77 -29.15 65.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 -64.49 -38.81 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 1.3 ttt -73.81 -34.55 64.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.701 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -75.28 -39.09 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.68 -38.74 62.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -70.65 -32.37 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.451 ' HB3' HD11 ' A' ' 8' ' ' ILE . 13.9 mt-30 -71.81 -46.7 57.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.675 ' HB2' HG21 ' A' ' 8' ' ' ILE . 1.9 tm-20 -69.36 -37.13 77.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.372 . . . . 0.0 110.738 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.694 ' O ' HD23 ' B' ' 79' ' ' LEU . 4.1 tt -67.95 -40.53 83.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.641 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 45.4 t -68.99 -30.45 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.505 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -64.44 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.684 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.578 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.0 OUTLIER 177.01 119.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.685 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -28.56 48.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.932 0.396 . . . . 0.0 110.435 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.31 -32.95 74.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.939 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 73.4 m -50.62 -25.18 3.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.764 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.598 HD23 HD12 ' B' ' 89' ' ' LEU . 11.9 mt -65.85 -27.83 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -65.9 -46.42 78.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.4 ' CE ' HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -68.82 -28.43 66.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.751 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 1.048 HD21 HG12 ' A' ' 5' ' ' VAL . 21.0 mt -67.36 -31.51 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.06 -43.06 86.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.43 -43.19 97.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -73.28 -33.93 65.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.3 t30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.318 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.85 -39.46 90.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.81 -42.03 58.85 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.821 HG12 HD21 ' B' ' 89' ' ' LEU . 3.8 t -63.47 -41.04 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.245 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.31 -41.88 98.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.937 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -42.93 80.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.414 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.57 HG23 ' HG2' ' B' ' 74' ' ' LYS . 4.7 mm -63.7 -41.11 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.723 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -56.22 -41.46 75.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.321 179.663 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -63.32 -46.35 87.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.164 0.507 . . . . 0.0 109.695 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.681 HD22 HD11 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -62.27 -34.59 76.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.687 178.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.79 -42.38 93.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.016 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' HG2' ' A' ' 16' ' ' GLU . 31.4 mttp -62.89 -42.08 99.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.091 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.9 -39.48 93.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.872 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.681 HD11 HD22 ' A' ' 11' ' ' LEU . 6.2 mt -70.93 -48.21 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.823 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -66.56 -33.85 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.811 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 40.7 t0 -68.28 -43.68 77.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.84 0.352 . . . . 0.0 110.505 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.513 HD23 HD21 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -65.49 -35.25 80.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 179.713 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -48.54 78.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.519 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -66.52 -34.16 77.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.536 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -44.03 88.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.784 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.73 -49.92 74.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -65.0 -42.26 94.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -68.93 -32.44 72.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.726 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -71.23 -46.57 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.676 ' HB2' HG21 ' B' ' 60' ' ' ILE . 0.6 OUTLIER -67.39 -37.33 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.688 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -41.59 97.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.554 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -58.69 -32.95 69.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.971 0.415 . . . . 0.0 110.346 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.732 HD11 ' CB ' ' B' ' 56' ' ' GLN . 0.5 OUTLIER -68.16 -54.91 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.338 179.49 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 177.64 119.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.496 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.87 -28.9 53.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.36 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.58 69.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.0 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.6 m -50.76 -24.92 3.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 34' ' ' LEU . 1.3 mm? -63.21 -29.31 70.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.93 18.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -63.02 -39.77 95.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.443 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.85 HD11 HD13 ' B' ' 61' ' ' LEU . 0.4 OUTLIER -62.29 -41.91 98.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.809 179.716 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.53 -40.43 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.32 -40.0 95.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -46.28 88.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.673 0.273 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -64.78 -34.81 79.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.732 ' CB ' HD11 ' A' ' 29' ' ' LEU . 9.7 mm100 -80.62 -32.87 36.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.429 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.704 HG12 HD12 ' A' ' 37' ' ' LEU . 24.7 t -70.33 -32.67 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.806 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.79 -34.72 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.683 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.48 -32.8 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.676 HG21 ' HB2' ' A' ' 26' ' ' GLU . 39.1 mm -63.68 -34.05 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.772 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.85 HD13 HD11 ' A' ' 37' ' ' LEU . 1.2 tp -65.12 -39.12 92.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -36.55 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.513 HD21 HD23 ' A' ' 18' ' ' LEU . 1.6 tt -63.44 -34.38 77.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.683 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -55.69 -35.96 66.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -31.2 72.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.631 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.574 ' O ' HD12 ' B' ' 70' ' ' LEU . 4.7 tt0 -71.85 -49.07 41.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.747 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.419 ' HB ' ' HB3' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -67.68 -35.12 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -68.12 -38.82 82.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.706 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.79 -46.95 88.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.681 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.574 HD12 ' O ' ' B' ' 66' ' ' GLU . 1.5 mt -62.43 -33.59 75.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.05 -50.79 64.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -43.99 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -32.07 73.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.601 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.57 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -69.12 -50.81 44.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.071 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.52 -37.08 85.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -34.2 72.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.103 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.424 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -74.03 -46.33 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.976 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.57 ' HA ' HD21 ' B' ' 81' ' ' LEU . 1.5 tt0 -64.86 -29.21 70.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.88 -24.53 41.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.664 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.31 -44.2 46.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.66 HD12 ' N ' ' B' ' 82' ' ' THR . 2.7 pp -67.1 -48.07 69.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.66 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 176.31 119.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.947 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -59.72 -29.49 68.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.338 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.33 -30.91 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 70.4 m -50.53 -25.3 3.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.556 HD22 ' OE2' ' B' ' 78' ' ' GLU . 4.1 mm? -60.94 -32.42 71.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -31.5 59.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -31.58 71.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.821 HD21 HG12 ' A' ' 5' ' ' VAL . 42.5 mt -59.83 -42.75 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -49.33 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.035 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.67 -32.58 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.025 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -41.04 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.141 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.83 0.347 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -28.17 66.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -75.64 -41.17 54.88 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' B' ' 85' ' ' SER . 2.9 t -64.88 -37.84 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.135 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.46 -42.03 92.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.072 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -44.76 84.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.482 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' B' ' 78' ' ' GLU . 5.4 mm -64.5 -36.66 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.704 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.625 HD13 HD11 ' B' ' 89' ' ' LEU . 0.5 OUTLIER -59.53 -45.61 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.331 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tpp85 -62.33 -44.82 95.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.122 0.486 . . . . 0.0 109.7 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -62.44 -35.51 79.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.766 179.051 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.19 -45.34 91.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.279 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -39.76 92.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.156 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.17 -43.62 92.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.472 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.834 HD12 ' HE3' ' B' ' 74' ' ' LYS . 38.8 mt -73.47 -38.14 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.311 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -39.28 93.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.88 -38.83 76.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.426 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.825 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -71.08 -33.97 70.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.588 179.706 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -71.51 -46.6 59.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.752 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -65.29 -34.36 78.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.656 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 ttp -67.4 -42.32 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.727 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.99 -47.86 84.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.742 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.532 ' O ' HD13 ' A' ' 27' ' ' LEU . 15.4 mt-10 -66.6 -38.6 87.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -69.18 -36.39 77.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -66.8 -43.09 84.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.723 ' OE1' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -68.12 -44.54 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 23' ' ' GLU . 5.2 mp -62.27 -32.87 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.741 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 p -57.12 -36.84 71.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.49 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 30' ' ' THR . 0.3 OUTLIER -69.89 -54.43 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.333 179.554 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 174.42 121.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.364 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -54.51 -29.03 49.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 -28.96 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.778 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.1 m -50.08 -25.09 3.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.685 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.723 HD22 ' OE1' ' A' ' 26' ' ' GLU . 3.3 mm? -58.54 -27.48 64.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -65.83 -40.98 92.3 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.717 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -65.02 -48.51 73.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.602 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.101 HD21 HG12 ' B' ' 57' ' ' VAL . 84.4 mt -56.08 -39.51 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.123 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.1 -39.03 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -34.67 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -31.73 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.505 ' NH1' HD22 ' B' ' 61' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -61.09 -32.31 71.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.53 ' CB ' HD21 ' A' ' 29' ' ' LEU . 14.8 mt-30 -81.95 -35.47 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.39 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 1.101 HG12 HD21 ' A' ' 37' ' ' LEU . 28.5 t -74.64 -32.91 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.866 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -33.26 75.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.763 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.55 -35.04 75.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.686 HG21 ' HB2' ' A' ' 26' ' ' GLU . 36.7 mm -62.89 -37.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.798 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.824 HD21 HD22 ' A' ' 37' ' ' LEU . 44.9 mt -60.34 -46.96 88.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 ttt-85 -61.39 -32.8 72.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.417 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.718 ' CD2' HD11 ' B' ' 67' ' ' ILE . 1.9 tt -65.8 -34.52 78.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.556 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.19 -35.82 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.734 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -58.77 -34.76 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -32.06 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.727 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.825 HD12 ' HB3' ' A' ' 18' ' ' LEU . 3.3 mm -75.0 -44.69 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -68.17 -36.94 80.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.683 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.49 -43.39 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.783 HD22 HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -68.34 -39.46 81.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.437 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.799 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.6 tt0 -64.53 -42.54 95.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -38.6 71.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 6.5 ttt -74.07 -31.99 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.739 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.834 ' HE3' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -71.15 -41.72 70.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -69.33 -43.51 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -65.44 -32.31 73.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.419 ' HB3' HD12 ' A' ' 8' ' ' ILE . 14.4 tt0 -72.63 -46.57 53.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.321 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.758 ' OE2' HD22 ' B' ' 86' ' ' LEU . 0.6 OUTLIER -68.33 -29.08 67.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tp -80.77 -20.82 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.821 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.81 -43.05 31.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.707 HD12 ' N ' ' B' ' 82' ' ' THR . 2.0 pp -63.98 -49.73 71.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.732 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.707 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 175.47 119.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -29.26 61.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.47 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -29.21 68.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.949 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.621 ' OG ' HD11 ' B' ' 81' ' ' LEU . 60.2 p -50.57 -25.28 3.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.653 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.758 HD22 ' OE2' ' B' ' 78' ' ' GLU . 2.4 mm? -61.09 -30.26 70.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.528 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -72.48 -60.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.535 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -59.89 -30.5 69.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.628 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.625 HD11 HD13 ' A' ' 9' ' ' LEU . 9.0 tt -64.97 -41.24 95.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.9 -42.35 94.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.46 -31.04 67.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.16 80.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.769 0.319 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -28.79 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.946 ' HB3' HD11 ' B' ' 81' ' ' LEU . 5.6 mt-30 -77.99 -43.0 30.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.082 0.467 . . . . 0.0 109.887 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 1.027 HG12 HD21 ' B' ' 89' ' ' LEU . 2.8 t -68.21 -34.13 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.079 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -43.96 82.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.826 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -40.1 85.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.206 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' HG2' ' B' ' 74' ' ' LYS . 22.6 mm -62.22 -42.3 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.501 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.867 ' CD2' HD22 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -57.25 -52.47 65.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.105 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 ttm-85 -58.29 -38.44 77.05 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -65.07 -37.27 86.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.601 178.781 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -43.18 82.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.956 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -64.96 -40.73 95.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.065 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.84 -47.58 82.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.442 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.707 HD13 ' HA ' ' B' ' 71' ' ' GLN . 19.4 mt -65.4 -49.52 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -35.19 74.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.464 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.51 -39.47 88.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.434 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.536 HD23 HD21 ' B' ' 63' ' ' LEU . 0.4 OUTLIER -63.24 -39.81 95.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.531 179.61 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -47.3 84.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.738 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -59.97 -43.82 94.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.599 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.53 -32.54 74.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -52.6 55.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.67 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -33.49 74.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -68.67 -34.82 76.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.729 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -38.48 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.636 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.761 ' HG2' HD12 ' B' ' 60' ' ' ILE . 0.1 OUTLIER -72.96 -43.81 61.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 179.769 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -66.99 -34.86 78.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.653 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -59.0 -36.8 75.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.156 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.753 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -70.87 -69.25 0.38 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.287 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 m -166.88 122.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.263 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.38 -26.31 29.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.415 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.46 -28.97 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.93 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.485 ' HB3' HG11 ' B' ' 57' ' ' VAL . 26.9 m -50.11 -25.03 3.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.75 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.59 -26.79 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.557 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -68.73 -44.24 74.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.704 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.656 ' HZ1' HG21 ' B' ' 57' ' ' VAL . 4.8 mtmp? -68.29 -42.87 78.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.228 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.672 HD12 HG12 ' B' ' 57' ' ' VAL . 0.2 OUTLIER -58.16 -38.33 76.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.821 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -70.23 -49.82 46.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -31.83 73.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -67.88 -43.58 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.803 HD21 ' N ' ' B' ' 54' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.828 0.347 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -30.29 71.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.753 ' HB3' HD11 ' A' ' 29' ' ' LEU . 26.0 mt-30 -82.0 -34.68 29.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.568 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.672 HG12 HD12 ' A' ' 37' ' ' LEU . 11.7 t -72.97 -32.94 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.826 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.534 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.5 OUTLIER -62.78 -37.89 88.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.586 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.75 -31.34 72.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.761 HD12 ' HG2' ' A' ' 26' ' ' GLU . 20.7 mt -62.36 -33.54 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.607 HD21 ' HG ' ' A' ' 37' ' ' LEU . 4.2 mm? -57.79 -44.73 86.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -62.2 -32.98 73.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.613 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.536 HD21 HD23 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -67.03 -34.73 78.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.622 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -58.7 -35.96 73.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.691 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -66.56 -34.41 77.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -49.45 52.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.401 HG23 ' N ' ' B' ' 68' ' ' GLU . 0.0 OUTLIER -67.1 -39.98 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 179.492 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.401 ' N ' HG23 ' B' ' 67' ' ' ILE . 1.8 mt-10 -63.85 -42.38 97.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.378 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -69.66 -32.94 71.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.417 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.668 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -70.66 -36.36 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.533 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.707 ' HA ' HD13 ' A' ' 15' ' ' ILE . 17.8 tt0 -74.61 -35.05 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -35.1 78.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 19.1 ptm -73.82 -35.57 64.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.726 ' HG2' HG23 ' A' ' 8' ' ' ILE . 5.2 ttpp -73.51 -43.05 60.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.767 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.36 -34.54 77.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.88 -32.27 59.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.523 ' HB3' HD11 ' A' ' 8' ' ' ILE . 4.2 mm-40 -70.74 -41.36 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -68.89 -43.23 75.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -38.76 92.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.7 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 t -70.84 -29.92 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.946 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -66.01 -66.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.652 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.671 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 176.65 119.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.743 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -54.84 -28.19 47.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -32.22 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.058 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 62.0 m -50.63 -25.18 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.769 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' B' ' 86' ' ' LEU . 15.0 mt -64.58 -28.66 69.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.708 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -74.73 -30.72 61.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.761 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -76.33 -35.15 58.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 1.027 HD21 HG12 ' A' ' 5' ' ' VAL . 90.3 mt -67.08 -36.81 82.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.734 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -59.23 -39.04 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.94 -36.12 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -77.3 -35.83 54.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.658 0.266 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -65.85 -30.4 71.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.026 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.908 ' HB3' HD11 ' B' ' 81' ' ' LEU . 61.2 mt-30 -79.91 -48.47 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.041 0.448 . . . . 0.0 109.81 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.714 ' CG1' HD12 ' B' ' 89' ' ' LEU . 12.8 t -65.39 -33.01 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.011 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.56 -41.46 75.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.894 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.01 -42.52 85.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.212 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.56 HG21 ' HG3' ' B' ' 78' ' ' GLU . 16.9 mm -67.78 -36.86 77.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.665 HD13 HD11 ' B' ' 89' ' ' LEU . 1.2 tp -58.98 -42.49 90.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.195 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -65.51 -44.74 86.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -62.32 -34.51 76.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.699 178.885 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -60.34 -46.59 89.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.089 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -59.94 -41.07 91.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.355 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.46 -49.43 77.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.661 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.702 HG13 HD22 ' B' ' 70' ' ' LEU . 3.4 mt -67.39 -41.93 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -38.07 84.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.333 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.9 -33.22 71.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.293 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.937 HD22 HG22 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -72.64 -38.48 67.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.655 179.73 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -67.92 -45.13 75.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.71 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -39.48 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.689 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 tpp -64.2 -39.44 93.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.803 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -67.11 -45.83 76.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.786 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.3 -41.88 96.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -35.17 79.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.727 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.561 ' HB3' HD12 ' B' ' 60' ' ' ILE . 3.8 tp-100 -66.31 -45.62 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' HB2' HG21 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -66.92 -45.11 78.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.34 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.734 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.52 -40.99 88.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -68.7 -55.58 10.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.631 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.62 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.2 t 176.9 125.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.462 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.42 -25.72 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.522 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.02 -28.91 68.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.004 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.62 ' OG ' HG23 ' A' ' 30' ' ' THR . 12.0 m -50.27 -25.1 3.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.601 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 34' ' ' LEU . 4.0 mm? -58.32 -29.63 66.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -70.34 -53.22 17.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.484 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -67.57 -34.76 77.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.517 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.628 ' HG ' HD21 ' B' ' 61' ' ' LEU . 3.2 tt -66.97 -33.2 75.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -46.83 57.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.72 -33.97 74.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -36.07 58.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HG3' HD22 ' B' ' 61' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 24.0 p30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.796 0.331 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -63.11 -37.59 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.45 ' HB2' HD21 ' A' ' 29' ' ' LEU . 32.5 mm-40 -79.51 -29.54 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.42 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.624 HG12 HD12 ' A' ' 37' ' ' LEU . 40.1 t -72.28 -33.03 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.83 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.54 -37.71 82.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.699 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -31.26 71.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 25' ' ' GLN . 38.8 mm -60.55 -44.66 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.628 HD21 ' HG ' ' A' ' 37' ' ' LEU . 62.7 mt -59.68 -35.34 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.605 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -36.7 81.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.497 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.72 -34.41 77.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.499 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.44 -37.05 69.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.792 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -62.68 -31.49 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.53 -48.67 31.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.937 HG22 HD22 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.68 -33.56 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.762 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.45 ' N ' HG13 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -68.7 -47.63 65.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.613 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.42 -39.19 86.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.35 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.702 HD22 HG13 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -72.9 -31.15 64.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.538 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.559 ' CB ' HG21 ' A' ' 15' ' ' ILE . 10.2 tt0 -75.8 -28.67 58.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -68.92 -45.39 70.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.2 ttm -68.11 -31.94 71.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.571 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -72.55 -44.75 61.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.115 -179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -71.03 -37.29 72.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.063 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -32.3 70.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.779 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.445 ' HB3' HD11 ' A' ' 8' ' ' ILE . 1.4 mt-30 -69.03 -46.74 67.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.56 ' HG3' HG21 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -66.09 -38.38 88.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.609 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -45.11 91.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.578 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -61.57 -25.38 67.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -69.37 -71.75 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.519 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.721 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.6 OUTLIER -178.67 120.67 0.08 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.46 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -54.29 -27.73 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.434 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.36 -31.23 71.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.832 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 66.4 p -50.48 -25.31 3.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.588 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.403 HD23 ' O ' ' B' ' 83' ' ' GLU . 4.3 mm? -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.572 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.92 -57.84 6.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.545 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -66.77 -31.66 72.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.714 HD12 ' CG1' ' A' ' 5' ' ' VAL . 10.1 tt -67.96 -32.96 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.755 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -66.84 -34.52 77.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -61.65 -40.7 95.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -68.8 -41.97 77.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.81 0.338 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -27.96 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -78.55 -45.12 22.56 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.946 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.586 HG12 HD12 ' B' ' 89' ' ' LEU . 3.1 t -65.46 -36.68 78.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.021 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.08 -42.38 89.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.931 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.4 -43.45 83.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.342 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' B' ' 78' ' ' GLU . 8.8 mm -67.74 -34.91 70.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.511 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.621 HD13 HD11 ' B' ' 89' ' ' LEU . 1.2 tp -60.47 -42.82 96.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.236 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -44.83 90.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.327 0.584 . . . . 0.0 109.427 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.404 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -62.34 -34.62 77.0 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.738 178.815 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.09 -42.38 98.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.946 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -62.78 -39.2 93.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.179 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.25 -43.88 95.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.582 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.846 HD13 ' HA ' ' B' ' 71' ' ' GLN . 21.9 mt -72.47 -42.22 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.397 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -36.03 82.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.284 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.89 -39.21 76.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.336 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.958 HD22 HG22 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -65.95 -45.07 83.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.541 179.553 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.35 -45.82 89.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.624 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -65.62 -43.21 90.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.709 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.658 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -70.27 -41.4 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -68.41 -38.56 81.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -37.34 84.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.767 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -68.11 -46.63 70.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.8 ' HB2' HG21 ' B' ' 60' ' ' ILE . 1.2 tt0 -66.05 -36.56 83.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.717 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.52 -34.29 73.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -32.51 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.632 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -71.68 -71.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.542 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -166.08 123.07 1.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.541 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -28.59 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.118 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.6 -29.15 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.774 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 m -50.35 -25.08 3.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.807 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.419 HD22 ' OE2' ' A' ' 26' ' ' GLU . 1.7 mm? -59.96 -29.59 68.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.434 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -57.66 3.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -31.4 72.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.447 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.788 HD12 HG12 ' B' ' 57' ' ' VAL . 5.5 tt -67.62 -43.26 80.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -71.63 -39.91 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -46.66 88.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -48.05 80.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.499 ' HG3' HD22 ' B' ' 61' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.861 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.753 0.311 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -29.39 69.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.623 ' HB3' HD11 ' A' ' 29' ' ' LEU . 23.2 mm-40 -81.87 -31.62 31.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.684 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.788 HG12 HD12 ' A' ' 37' ' ' LEU . 26.1 t -72.45 -32.86 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.062 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' B' ' 61' ' ' LEU . 96.9 mt-10 -64.82 -35.41 81.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -39.23 79.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.8 HG21 ' HB2' ' A' ' 26' ' ' GLU . 40.3 mm -63.15 -39.92 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.553 HD21 ' HG ' ' A' ' 37' ' ' LEU . 21.2 mt -58.18 -34.91 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -40.24 93.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.421 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.5 ' O ' HG23 ' B' ' 67' ' ' ILE . 1.6 mt -67.77 -34.43 76.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.347 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.411 ' O ' HG13 ' B' ' 67' ' ' ILE . 1.3 tt0 -57.11 -36.0 70.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.778 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -61.47 -35.06 76.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -73.82 -39.16 64.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.958 HG22 HD22 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -71.53 -33.82 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.328 -179.574 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.457 ' N ' HG13 ' B' ' 67' ' ' ILE . 12.5 pt-20 -74.53 -41.83 59.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -65.52 -33.06 75.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.72 HD22 HG12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -72.75 -33.8 66.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.716 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.846 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.2 tt0 -67.66 -35.9 79.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.061 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -58.48 -40.89 83.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.8 ttp -73.97 -32.13 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.272 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.691 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -75.39 -35.29 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.987 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -43.36 55.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.794 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -68.8 -32.29 71.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 2.5 mt-30 -68.32 -46.64 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.725 ' HB2' HG21 ' A' ' 8' ' ' ILE . 4.6 tm-20 -69.46 -31.73 70.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.91 0.386 . . . . 0.0 110.763 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 mp -80.02 -21.6 43.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.634 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 29.6 t -77.84 -43.59 29.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.739 HD12 ' N ' ' B' ' 82' ' ' THR . 2.7 pp -63.68 -47.43 81.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.831 0.348 . . . . 0.0 110.752 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.739 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 172.08 119.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.791 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -58.05 -29.86 65.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.343 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -32.07 72.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.003 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.468 ' HB3' HG22 ' A' ' 5' ' ' VAL . 57.8 m -50.71 -25.0 3.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' ' 86' ' ' LEU . 10.7 tp -65.28 -29.61 70.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.597 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -61.1 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.274 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -29.65 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.306 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.621 HD11 HD13 ' A' ' 9' ' ' LEU . 10.4 tt -63.27 -37.27 86.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.773 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -32.09 73.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.96 -40.2 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -62.76 -49.48 74.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.885 0.374 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -29.9 71.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.855 ' HB3' HD11 ' B' ' 81' ' ' LEU . 18.4 mm-40 -78.51 -46.19 20.18 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 109.791 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.583 ' CG1' HD12 ' B' ' 89' ' ' LEU . 19.6 t -64.52 -35.7 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.946 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.42 -39.61 85.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.758 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.41 -48.75 76.3 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.154 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.657 HG21 ' HB2' ' B' ' 78' ' ' GLU . 21.1 mm -63.16 -35.37 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.349 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.64 HD13 HD11 ' B' ' 89' ' ' LEU . 1.2 tp -56.42 -44.94 80.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.11 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -42.34 95.78 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -62.4 -34.68 77.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.872 178.85 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HA ' HD12 ' A' ' 15' ' ' ILE . 2.8 tt0 -61.77 -45.95 91.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.19 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -40.36 88.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.343 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.89 -49.45 77.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.677 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.623 HG21 ' HG3' ' B' ' 71' ' ' GLN . 3.5 mt -66.1 -42.88 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.056 0.455 . . . . 0.0 110.456 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.97 -41.24 96.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.367 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -39.0 76.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.251 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.803 ' HB3' HG22 ' B' ' 67' ' ' ILE . 0.4 OUTLIER -60.45 -43.53 96.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.509 179.655 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.45 ' HG2' HD13 ' B' ' 67' ' ' ILE . 1.2 tm0? -65.87 -39.85 91.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.621 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -60.3 -41.49 93.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.567 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.8 mtm -65.27 -41.36 94.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' HG2' HG23 ' B' ' 60' ' ' ILE . 22.8 ttpp -66.24 -44.04 84.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.802 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -39.56 80.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.737 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.15 -40.55 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -63.99 -38.01 89.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.6 ' CD ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -69.84 -48.52 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.81 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.77 -31.94 71.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.729 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.49 -37.85 73.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.397 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' B' ' 56' ' ' GLN . 0.3 OUTLIER -70.88 -55.93 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.384 179.425 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -179.03 122.87 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.303 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.26 -29.22 46.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.011 0.434 . . . . 0.0 110.032 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.75 -29.12 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.729 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 36' ' ' LYS . 70.3 m -50.43 -25.04 3.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.614 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.6 HD22 ' CD ' ' A' ' 26' ' ' GLU . 3.3 mm? -58.7 -27.14 64.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.433 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -72.96 -53.72 10.51 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.675 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -65.66 -32.1 73.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.682 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.614 ' HG ' HD21 ' B' ' 61' ' ' LEU . 7.2 tt -69.1 -41.54 77.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -66.89 -50.01 63.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.65 -35.87 77.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -41.7 93.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.754 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' HD12 ' B' ' 61' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.911 0.386 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.74 -31.94 67.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.566 ' HB2' HD21 ' A' ' 29' ' ' LEU . 4.0 mt-30 -80.54 -31.79 36.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.443 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.55 HG12 HD12 ' A' ' 37' ' ' LEU . 17.3 t -68.19 -32.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.631 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.572 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.7 OUTLIER -63.54 -35.97 82.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -31.34 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.816 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.462 HG23 ' HG2' ' A' ' 22' ' ' LYS . 40.0 mm -59.62 -34.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.614 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.7 mm? -59.72 -41.08 90.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -42.22 98.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.498 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.65 -34.67 78.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -57.92 -38.92 76.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.668 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -71.13 -36.17 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.609 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.23 -40.05 96.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.572 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.803 HG22 ' HB3' ' A' ' 18' ' ' LEU . 5.7 pt -73.56 -33.61 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.788 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.545 ' N ' HG13 ' B' ' 67' ' ' ILE . 3.2 mt-10 -72.03 -42.8 65.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.57 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.62 -40.9 89.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.0 110.409 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.518 HD22 HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -72.94 -28.16 62.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.499 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.623 ' HG3' HG21 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -74.3 -31.9 62.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -44.76 92.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 7.1 ttm -68.11 -32.04 72.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.778 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.551 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -72.84 -47.05 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.007 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.33 -35.08 71.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -71.67 -32.46 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.461 ' HB3' HD11 ' A' ' 8' ' ' ILE . 37.9 mt-30 -72.69 -46.56 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.657 ' HB2' HG21 ' A' ' 8' ' ' ILE . 8.9 tm-20 -66.79 -32.86 74.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.736 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.43 -47.96 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 57.5 p -62.78 -29.48 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -64.35 -66.01 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.695 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.635 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 174.88 119.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.543 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -29.82 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.314 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.44 83.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.894 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 58.6 m -50.83 -25.6 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.646 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.583 HD13 ' CD ' ' B' ' 78' ' ' GLU . 9.5 tp -66.15 -29.15 69.39 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.444 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -52.35 60.72 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -68.1 -30.5 69.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.212 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.64 HD11 HD13 ' A' ' 9' ' ' LEU . 8.8 tt -64.56 -34.88 79.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.674 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -35.66 77.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.87 -44.37 93.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -31.67 65.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.629 0.252 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.446 ' HA ' ' HG2' ' A' ' 6' ' ' GLU . 6.0 tmtt? -70.49 -38.58 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -38.37 62.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 1.025 HG12 HD21 ' B' ' 89' ' ' LEU . 3.0 t -67.57 -44.91 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.71 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 3' ' ' LYS . 11.1 pt-20 -61.11 -39.3 89.47 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -48.93 77.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.885 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.901 HG21 ' HB2' ' B' ' 78' ' ' GLU . 2.4 mm -60.26 -37.1 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.168 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.706 ' CD1' HD13 ' B' ' 89' ' ' LEU . 0.6 OUTLIER -59.58 -40.58 87.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.149 179.511 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -46.26 90.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.773 HD23 ' CD2' ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.14 -37.48 85.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.846 178.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -59.34 -40.88 87.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.547 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -64.76 -46.72 80.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.435 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.65 -41.72 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.571 HG21 ' HG2' ' B' ' 71' ' ' GLN . 10.1 mt -67.5 -49.58 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -61.08 -34.48 74.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.369 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.26 -44.15 92.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.43 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.72 HD23 HD21 ' B' ' 63' ' ' LEU . 0.5 OUTLIER -60.15 -40.98 91.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.545 179.603 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.49 ' N ' HD12 ' B' ' 67' ' ' ILE . 2.6 tt0 -62.67 -46.09 89.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -60.29 -45.75 92.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.3 mtm -64.42 -39.44 93.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.606 ' HB2' HD22 ' B' ' 63' ' ' LEU . 22.8 ttpp -68.84 -45.4 71.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.7 -38.4 86.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.32 -32.31 72.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.543 ' HB3' HD12 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -72.29 -42.76 65.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HB2' HG21 ' B' ' 60' ' ' ILE . 4.6 tp10 -65.45 -38.21 89.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.9 mt -60.37 -30.23 69.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.737 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -54.76 -39.75 68.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.377 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.909 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.3 OUTLIER -74.41 -57.2 4.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.331 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.55 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.0 OUTLIER 167.52 125.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.085 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -25.87 26.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.86 0.362 . . . . 0.0 110.388 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.75 -31.44 71.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.55 ' OG ' HG23 ' A' ' 30' ' ' THR . 3.6 m -50.51 -25.22 3.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.57 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD23 HD22 ' A' ' 37' ' ' LEU . 9.6 mt -60.29 -27.01 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.727 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -53.07 61.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.001 0.429 . . . . 0.0 109.9 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.04 -31.65 70.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.799 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.775 HD12 HG12 ' B' ' 57' ' ' VAL . 4.3 tt -63.91 -38.94 92.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.8 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -50.6 31.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -33.86 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -47.26 61.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.854 ' HG3' HD22 ' B' ' 61' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.771 0.319 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -57.4 -33.73 68.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.909 ' HB3' HD11 ' A' ' 29' ' ' LEU . 19.6 mt-30 -81.83 -32.29 31.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.775 HG12 HD12 ' A' ' 37' ' ' LEU . 46.0 t -74.28 -32.76 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.774 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.675 ' HA ' HD12 ' B' ' 61' ' ' LEU . 15.6 mt-10 -71.01 -35.57 72.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.54 -36.39 76.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' A' ' 25' ' ' GLN . 44.0 mm -66.61 -42.23 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.048 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.854 HD22 ' HG3' ' A' ' 41' ' ' ARG . 6.3 mt -59.33 -34.33 72.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -59.43 -33.5 71.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.362 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.72 HD21 HD23 ' A' ' 18' ' ' LEU . 1.7 tt -68.38 -34.25 75.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.35 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.5 ' HA ' HG22 ' B' ' 67' ' ' ILE . 21.1 tt0 -55.89 -35.76 66.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -38.49 86.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -69.36 -49.41 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' B' ' 64' ' ' GLU . 7.8 tt -66.0 -34.02 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.64 -39.54 94.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -66.61 -41.0 89.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.787 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.773 ' CD2' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.79 -29.39 63.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.571 ' HG2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -72.08 -40.24 68.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -43.06 99.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 22.7 ttm -67.41 -32.08 72.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.553 ' HE3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -70.64 -47.91 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.98 -36.26 81.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.082 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -70.22 -32.73 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -73.95 -46.75 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.901 ' HB2' HG21 ' A' ' 8' ' ' ILE . 10.1 tm-20 -68.23 -31.36 70.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.786 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tt -78.16 -21.37 50.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.4 t -79.51 -46.93 16.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.684 HD12 ' N ' ' B' ' 82' ' ' THR . 1.8 pp -63.96 -55.13 24.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.684 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.2 OUTLIER 177.12 119.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -26.83 62.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.736 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.22 -33.17 74.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 19.5 m -50.7 -25.11 3.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.614 HD12 HD12 ' B' ' 89' ' ' LEU . 7.8 tp -65.56 -29.17 69.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.712 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -72.59 -35.85 68.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.762 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.25 -30.53 68.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.777 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 1.025 HD21 HG12 ' A' ' 5' ' ' VAL . 52.2 mt -62.7 -33.54 75.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -61.82 -52.22 65.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -31.29 72.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -39.29 33.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.621 ' N ' HD21 ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.75 0.309 . . . . 0.0 110.957 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -28.29 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.808 ' O ' HD13 ' A' ' 8' ' ' ILE . 22.1 mm-40 -78.35 -38.61 41.6 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.087 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.882 HG13 HD12 ' B' ' 89' ' ' LEU . 38.8 t -70.58 -33.08 51.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.078 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.36 -53.59 34.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.162 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.84 -32.44 70.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.155 0.502 . . . . 0.0 110.1 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.808 HD13 ' O ' ' A' ' 4' ' ' GLN . 1.3 mp -65.79 -48.04 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.25 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.539 HD11 ' HG ' ' B' ' 89' ' ' LEU . 1.1 mp -57.22 -40.67 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -48.55 81.26 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.197 0.522 . . . . 0.0 109.759 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.635 HD21 HD23 ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.14 -34.41 76.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.662 178.849 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.7 OUTLIER -57.96 -44.05 86.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.03 179.13 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.21 -43.72 98.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.955 179.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -44.45 83.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.376 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.541 HD13 ' HE3' ' B' ' 74' ' ' LYS . 5.0 mt -71.53 -38.02 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.691 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.15 -36.0 81.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.42 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -42.0 74.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.663 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.501 HD23 HD21 ' B' ' 63' ' ' LEU . 0.4 OUTLIER -71.0 -40.66 71.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.773 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -68.31 -34.51 76.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -68.62 -45.87 70.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.1 ptp -63.35 -37.48 87.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -64.02 -46.62 83.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.2 -39.69 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -37.69 78.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -66.61 -41.12 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.745 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.49 -45.01 77.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.7 -38.23 87.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.691 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -57.71 -32.72 67.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.659 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.868 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -73.9 -56.76 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.442 179.683 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 177.51 121.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.341 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.52 -29.31 50.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.949 0.404 . . . . 0.0 110.172 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.19 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.845 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.0 m -50.59 -25.04 3.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.606 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.745 HD22 ' OE2' ' A' ' 26' ' ' GLU . 1.4 mm? -58.5 -28.17 65.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.424 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -46.57 71.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.604 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -36.9 76.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.64 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.696 ' HG ' HD21 ' B' ' 61' ' ' LEU . 1.4 tt -66.61 -37.74 85.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.844 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -40.61 69.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.48 -36.01 81.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -79.28 -31.05 43.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -36.24 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.868 ' HB3' HD11 ' A' ' 29' ' ' LEU . 11.2 mm-40 -81.12 -32.63 33.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.553 ' CG1' HD12 ' A' ' 37' ' ' LEU . 26.3 t -74.0 -32.81 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.774 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.57 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.5 OUTLIER -62.92 -36.32 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.76 179.733 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.68 -31.63 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mm -60.94 -33.52 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.776 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.696 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.8 mm? -61.29 -45.4 94.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.679 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.42 96.95 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.689 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.501 HD21 HD23 ' A' ' 18' ' ' LEU . 1.4 tt -62.34 -34.56 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' B' ' 67' ' ' ILE . 1.1 tm-20 -58.72 -35.93 73.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.854 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -48.44 80.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -49.21 78.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.645 HD13 ' O ' ' B' ' 67' ' ' ILE . 0.0 OUTLIER -67.69 -34.49 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.1 -34.48 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.682 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -62.37 -50.02 73.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.719 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.635 HD23 HD21 ' A' ' 11' ' ' LEU . 1.4 mt -64.17 -39.51 94.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.696 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -39.49 94.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -47.61 81.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 4.1 ptp -67.1 -32.14 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.479 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.541 ' HE3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -65.89 -49.92 66.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.506 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.12 -48.83 77.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.08 -32.06 73.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.542 ' HB3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -63.68 -46.75 84.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.708 -179.599 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.517 ' HG2' HG21 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -74.12 -36.45 64.2 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.597 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.779 ' O ' HD23 ' B' ' 79' ' ' LEU . 3.6 tt -74.32 -17.5 60.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m -81.12 -46.54 14.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.2 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.632 HD12 ' N ' ' B' ' 82' ' ' THR . 1.2 pp -65.83 -58.07 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.963 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.685 HG23 ' H ' ' B' ' 85' ' ' SER . 7.1 t 179.04 121.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.865 0.364 . . . . 0.0 110.775 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.78 -25.61 29.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.07 -30.78 70.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.599 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.685 ' H ' HG23 ' B' ' 82' ' ' THR . 0.6 OUTLIER -50.57 -25.36 4.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.948 0.404 . . . . 0.0 110.497 179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.59 -29.19 64.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.401 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -70.34 -61.64 1.69 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.421 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -62.45 -30.41 71.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.405 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.882 HD12 HG13 ' A' ' 5' ' ' VAL . 9.9 tt -65.05 -36.44 84.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.895 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -30.86 70.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -33.08 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -77.01 -31.84 56.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.606 0.241 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -64.02 -31.41 72.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.76 0.314 . . . . 0.0 111.169 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.901 ' HB3' HD11 ' B' ' 81' ' ' LEU . 2.7 mt-30 -79.99 -44.27 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.078 0.466 . . . . 0.0 110.039 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.785 HG12 HD12 ' B' ' 89' ' ' LEU . 6.6 t -65.82 -35.31 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.096 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.35 -40.05 74.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.008 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -56.3 -46.75 79.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.341 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.636 HG21 ' HG2' ' B' ' 78' ' ' GLU . 6.0 mm -64.32 -40.34 88.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.464 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.923 HD13 HD11 ' B' ' 89' ' ' LEU . 1.0 OUTLIER -56.28 -44.82 80.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.881 179.433 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -41.33 94.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -62.62 -37.12 85.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.373 178.645 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.425 ' O ' HG12 ' A' ' 15' ' ' ILE . 2.9 tt0 -57.88 -42.65 85.04 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.854 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -32.99 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.586 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.72 -47.16 64.1 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.796 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.807 HG22 HD22 ' B' ' 70' ' ' LEU . 12.8 pt -67.71 -35.68 73.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.959 0.409 . . . . 0.0 110.537 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -45.49 71.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -40.49 94.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.249 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.916 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -69.64 -36.35 76.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.39 179.593 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HG3' HG21 ' B' ' 67' ' ' ILE . 1.5 tt0 -73.02 -36.13 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.643 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -66.89 -37.63 84.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.616 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.4 ptp -73.75 -33.19 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.425 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HB2' HD22 ' B' ' 63' ' ' LEU . 25.4 ttpp -72.47 -46.62 54.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.731 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -38.06 85.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.765 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -66.87 -37.89 85.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HB3' HD12 ' B' ' 60' ' ' ILE . 9.3 tt0 -66.15 -45.43 81.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.654 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.764 ' HB2' HG21 ' B' ' 60' ' ' ILE . 14.1 tt0 -68.55 -45.41 72.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.77 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.47 -32.6 74.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.52 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -59.53 -39.23 83.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.467 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 30' ' ' THR . 0.3 OUTLIER -66.67 -49.04 67.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.417 179.508 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 173.8 121.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.348 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -54.6 -28.77 48.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.964 0.411 . . . . 0.0 110.097 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.5 -28.99 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.813 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.5 m -50.31 -24.98 3.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.744 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 34' ' ' LEU . 2.4 mm? -59.88 -29.22 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.368 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -52.75 15.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.484 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -64.36 -37.02 86.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.757 HD11 HD13 ' B' ' 61' ' ' LEU . 1.7 tt -65.38 -40.58 93.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -50.9 70.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -62.68 -36.55 83.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.808 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -65.24 -31.72 73.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.811 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.752 ' HG2' HD21 ' B' ' 61' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.744 0.307 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -38.49 80.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.601 ' HB3' HD11 ' A' ' 29' ' ' LEU . 2.5 mt-30 -80.14 -29.2 38.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.46 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.641 HG12 HD12 ' A' ' 37' ' ' LEU . 46.2 t -74.43 -32.83 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.793 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.18 -32.63 73.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.777 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.31 -31.55 72.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.764 HG21 ' HB2' ' A' ' 26' ' ' GLU . 22.9 mm -65.08 -40.67 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.757 HD13 HD11 ' A' ' 37' ' ' LEU . 1.4 tp -58.9 -44.84 91.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -61.5 -34.8 76.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 110.27 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.593 HD23 HD11 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -70.56 -34.5 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.329 179.395 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -57.3 -35.97 70.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.61 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -55.55 -35.01 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.59 -37.08 65.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.712 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.916 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.1 mm -76.14 -33.94 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.324 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.34 -43.07 74.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.486 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.49 -33.04 72.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.428 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.807 HD22 HG22 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -71.49 -43.16 67.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.433 179.589 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.529 ' HG3' HD12 ' A' ' 15' ' ' ILE . 1.7 mt-30 -62.4 -44.14 97.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.811 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -47.47 86.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.798 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 1.7 tpp -65.16 -32.01 73.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.332 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.646 ' HE3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -68.02 -52.42 35.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.833 179.767 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.66 -40.65 95.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.779 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -63.19 -32.28 73.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.27 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -46.72 54.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.325 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.636 ' HG2' HG21 ' A' ' 8' ' ' ILE . 8.2 mm-40 -69.53 -29.31 66.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.893 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.72 -44.03 64.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.525 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -67.05 -27.64 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.631 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.901 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -68.91 -69.57 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.757 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.677 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER 176.99 120.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.593 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.71 -28.67 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.43 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.41 74.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.95 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 74.8 m -50.54 -25.3 3.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.782 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' B' ' 86' ' ' LEU . 13.5 mt -64.72 -30.32 71.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.562 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.36 -56.79 12.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.375 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.84 -28.7 67.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.41 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.923 HD11 HD13 ' A' ' 9' ' ' LEU . 8.3 tt -70.54 -34.11 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -34.01 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.71 -43.1 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -41.37 95.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -179.933 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -38.77 91.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -74.47 -39.23 62.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.831 ' CG1' HD12 ' B' ' 89' ' ' LEU . 3.2 t -66.08 -37.3 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.069 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.74 -42.65 95.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.006 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -48.07 78.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.388 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.844 HG21 ' HB2' ' B' ' 78' ' ' GLU . 3.1 mm -60.92 -35.02 61.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.532 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.614 HD13 HD11 ' B' ' 89' ' ' LEU . 0.6 OUTLIER -60.48 -42.65 96.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.238 179.616 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -49.07 78.96 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -62.35 -34.38 76.55 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.541 178.596 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.03 -44.17 97.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.06 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -59.33 -44.11 92.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -48.09 78.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.627 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.603 HG13 HD22 ' B' ' 70' ' ' LEU . 3.5 mt -69.17 -36.44 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.404 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -41.33 98.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.7 -32.47 71.07 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.054 0.454 . . . . 0.0 109.925 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.52 HD12 ' HB ' ' B' ' 67' ' ' ILE . 0.1 OUTLIER -62.38 -50.54 71.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.532 179.413 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.71 -44.67 92.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -36.16 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.546 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.1 mtm -73.44 -34.31 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.49 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -68.13 -44.64 75.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.842 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 27' ' ' LEU . 26.5 mt-10 -67.87 -39.88 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -35.41 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.474 ' HB3' HD11 ' B' ' 60' ' ' ILE . 27.0 mt-30 -72.86 -43.66 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.726 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.26 -36.25 83.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.623 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 23' ' ' GLU . 4.2 mm? -77.76 -18.92 55.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -78.72 -46.03 19.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.968 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.636 ' O ' HG23 ' A' ' 30' ' ' THR . 1.0 OUTLIER -64.19 -44.3 92.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 0.0 110.517 179.824 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 175.63 119.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.688 179.609 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HG2' ' CD1' ' A' ' 27' ' ' LEU . 2.6 mt-10 -56.86 -29.81 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.018 0.437 . . . . 0.0 110.235 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.69 69.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.41 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.495 ' CB ' HG22 ' B' ' 57' ' ' VAL . 4.8 m -50.43 -25.15 3.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.914 0.388 . . . . 0.0 110.677 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.726 HD22 ' OE2' ' A' ' 26' ' ' GLU . 2.8 mm? -60.31 -30.81 69.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.596 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -68.27 -56.2 9.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.566 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -63.56 -33.02 74.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.422 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.762 ' CG ' HD21 ' B' ' 61' ' ' LEU . 10.3 tt -67.07 -44.49 79.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.849 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -69.29 -33.51 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.788 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -75.57 -31.12 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -71.14 -41.71 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 p30 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.84 0.352 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -65.22 -28.97 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.565 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -81.94 -29.98 31.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.776 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.547 ' CG1' HD12 ' A' ' 37' ' ' LEU . 5.8 t -73.86 -35.16 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.993 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.74 -34.95 76.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.64 -33.43 74.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.656 HG21 ' HB2' ' A' ' 26' ' ' GLU . 33.1 mm -70.67 -46.23 70.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.762 HD21 ' CG ' ' A' ' 37' ' ' LEU . 29.3 mt -58.17 -31.35 67.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -35.1 74.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.253 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mt -65.93 -34.1 77.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.452 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.436 ' HA ' HG22 ' B' ' 67' ' ' ILE . 4.3 tt0 -55.86 -35.82 66.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.76 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -36.61 83.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.06 -49.34 52.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.72 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.52 ' HB ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -68.09 -34.08 64.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.33 -42.16 65.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.1 -36.89 80.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.603 HD22 HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -72.75 -27.87 62.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.827 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -73.61 -28.6 61.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -65.47 -43.13 91.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -32.13 68.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.077 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.581 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -72.03 -38.71 69.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -71.14 -44.29 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -65.62 -32.24 73.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.477 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -68.52 -46.71 68.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.844 ' HB2' HG21 ' A' ' 8' ' ' ILE . 1.3 tt0 -69.66 -29.04 66.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.791 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.85 -21.19 44.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.746 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 -43.33 33.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.006 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.679 HD12 ' N ' ' B' ' 82' ' ' THR . 2.6 pp -64.99 -46.69 80.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.679 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 174.79 119.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.749 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.48 -30.29 64.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.286 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -29.55 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.019 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.632 ' OG ' HD11 ' B' ' 81' ' ' LEU . 54.0 p -50.53 -25.2 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.744 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.775 HD22 ' OE2' ' B' ' 78' ' ' GLU . 1.4 mm? -61.85 -30.08 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.64 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -50.22 59.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.56 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -69.26 -30.44 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.42 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.831 HD12 ' CG1' ' A' ' 5' ' ' VAL . 3.4 tt -67.37 -34.79 78.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.959 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -71.67 -30.38 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -69.3 -45.48 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -30.64 71.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.033 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.91 -32.78 71.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -76.91 -44.28 32.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.039 0.447 . . . . 0.0 109.812 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' B' ' 85' ' ' SER . 6.2 t -66.22 -37.51 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.186 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.8 -43.14 97.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.916 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -46.44 84.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.37 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.595 HG21 ' CG ' ' B' ' 78' ' ' GLU . 2.2 mm -61.05 -40.03 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.527 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.09 -41.65 79.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.326 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -44.08 97.13 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -62.25 -34.61 76.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.663 179.009 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -62.33 -38.97 91.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.84 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -33.31 75.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.07 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.39 -41.23 69.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.703 HD13 ' HA ' ' B' ' 71' ' ' GLN . 12.2 mt -71.18 -47.74 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.68 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -34.41 77.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.579 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.35 -42.24 83.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.472 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.477 ' CD2' HD23 ' B' ' 63' ' ' LEU . 0.2 OUTLIER -63.35 -39.84 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.458 179.623 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -46.03 92.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.583 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -58.8 -42.36 88.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.632 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 tpp -64.4 -32.42 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -52.4 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.669 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.77 -30.6 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.656 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 0.8 OUTLIER -72.92 -35.66 67.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -73.3 -38.33 65.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.775 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -38.43 64.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.797 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.3 mt -66.7 -31.84 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.771 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -58.94 -40.51 84.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.602 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -70.31 -60.69 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.536 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.533 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.1 t 173.62 126.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.445 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -54.62 -25.78 28.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.985 0.422 . . . . 0.0 110.309 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.48 75.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.17 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.559 ' HB3' HG21 ' B' ' 57' ' ' VAL . 3.7 m -50.51 -25.29 3.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.718 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.18 -26.76 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.561 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -58.63 -53.7 55.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.396 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -68.97 -31.59 70.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.332 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.703 HD12 HG12 ' B' ' 57' ' ' VAL . 8.5 tt -67.89 -35.64 78.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.65 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.17 -44.99 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.771 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.49 -31.58 69.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -43.93 57.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.644 0.259 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -59.09 -43.03 91.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 111.063 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.602 ' HB3' HD11 ' A' ' 29' ' ' LEU . 7.7 mt-30 -78.73 -30.19 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.343 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.703 HG12 HD12 ' A' ' 37' ' ' LEU . 26.2 t -74.2 -32.73 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.753 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.454 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -60.8 -38.15 84.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.682 179.766 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -29.52 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.727 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.64 -36.12 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.553 HD11 ' HG ' ' A' ' 37' ' ' LEU . 3.6 mm? -63.65 -34.2 77.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -63.79 -40.03 95.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -62.36 -34.52 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.406 ' HA ' HG22 ' B' ' 67' ' ' ILE . 63.6 tt0 -56.68 -47.26 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -35.11 75.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -49.51 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.572 HD13 ' O ' ' B' ' 67' ' ' ILE . 0.0 OUTLIER -68.29 -34.62 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.18 -42.33 75.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.573 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.59 -38.79 77.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.638 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.402 ' CD2' ' CD2' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -64.83 -29.72 70.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.694 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.703 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -72.57 -37.24 68.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -59.37 -42.11 90.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.8 ttm -63.87 -32.04 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.737 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.406 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.31 -52.38 54.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.06 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.55 -39.84 77.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -70.82 -32.35 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.691 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.47 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -73.68 -46.7 44.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.743 ' OE2' HD22 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -73.21 -32.67 64.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.732 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.6 tt -80.36 -17.96 50.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -82.11 -42.11 19.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.727 HD11 ' OE1' ' B' ' 78' ' ' GLU . 2.1 pp -66.51 -49.21 67.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.723 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.699 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER 179.81 119.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 179.738 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.73 -29.09 66.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.437 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.39 -30.71 70.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.154 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.473 ' HB3' HG22 ' A' ' 5' ' ' VAL . 48.3 m -50.65 -25.19 3.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.743 HD22 ' OE2' ' B' ' 78' ' ' GLU . 2.7 mm? -61.11 -30.78 70.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.42 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.49 -55.31 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.289 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -65.55 -31.16 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.238 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.589 ' O ' HD23 ' B' ' 89' ' ' LEU . 8.3 tt -63.14 -38.13 89.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.619 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -71.75 -42.73 66.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.53 -44.22 94.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.761 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -38.77 77.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.75 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 . . . . . 0 CA--C 1.529 0.171 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -69.52 -46.31 66.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.746 0.308 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.794 ' HB2' HD11 ' B' ' 81' ' ' LEU . 6.1 mm-40 -73.99 -38.94 63.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.922 HG12 HD21 ' B' ' 89' ' ' LEU . 2.3 t -65.19 -42.21 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.912 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -38.16 88.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.689 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.22 -45.38 87.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.108 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' B' ' 78' ' ' GLU . 5.4 mm -61.18 -38.91 80.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.509 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.836 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -56.37 -48.83 76.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.477 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -44.51 94.92 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.553 HD21 HD23 ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.43 -34.6 77.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.864 179.039 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.34 -44.48 96.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.189 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -60.16 -42.75 95.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.545 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.2 -49.3 78.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.419 HD11 ' HB2' ' B' ' 74' ' ' LYS . 5.3 mt -65.22 -44.3 95.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.602 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.47 -37.12 74.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.631 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.71 -41.93 74.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.574 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -67.3 -36.38 81.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.719 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -65.85 -46.49 78.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.654 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -34.37 75.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.4 tpp -67.61 -41.77 83.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -65.7 -48.93 70.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.738 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -63.66 -40.55 97.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.696 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -65.42 -32.48 74.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -72.0 -46.56 56.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.662 ' OE2' HG22 ' B' ' 57' ' ' VAL . 1.1 tm-20 -60.54 -34.53 74.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.498 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -22.71 57.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.615 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 t -74.6 -48.08 28.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 30' ' ' THR . 1.5 pp -67.0 -46.36 74.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.836 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 174.62 119.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.827 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.75 -34.92 71.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.182 0.515 . . . . 0.0 109.659 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.55 74.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.732 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.418 ' CB ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -50.62 -25.2 3.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.739 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.07 -26.2 68.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.652 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -55.69 -55.57 30.68 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.909 0.385 . . . . 0.0 110.575 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -64.44 -30.17 71.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.332 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.64 ' HG ' HD11 ' B' ' 61' ' ' LEU . 10.0 tt -64.51 -43.29 94.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.58 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -67.34 -39.14 85.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.599 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -72.82 -31.44 64.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.676 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 tpt85 -68.28 -39.43 82.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.773 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.833 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.3 -27.92 68.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -80.28 -30.79 38.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.725 HG12 ' CD2' ' B' ' 61' ' ' LEU . 20.1 t -70.26 -38.91 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.78 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.54 -33.59 60.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -28.65 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.402 HG21 ' HG2' ' A' ' 26' ' ' GLU . 27.1 mm -76.7 -35.92 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.725 ' CD2' HG12 ' B' ' 57' ' ' VAL . 3.1 mm? -62.57 -36.56 83.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.59 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -61.3 -35.07 76.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.653 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.53 -34.73 76.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' B' ' 67' ' ' ILE . 1.5 tm-20 -58.53 -35.86 72.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -37.53 78.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.682 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -69.6 -49.26 55.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.45 HD12 ' HB3' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -60.94 -34.03 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -48.89 78.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.48 -38.8 90.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.553 HD23 HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.79 -35.94 67.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.799 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.46 -36.23 65.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -66.96 -40.69 87.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 18.4 ttm -66.91 -31.97 72.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.419 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -70.78 -50.95 30.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.101 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.471 ' OE2' HD11 ' B' ' 79' ' ' LEU . 3.7 tt0 -67.59 -32.09 72.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -71.92 -33.09 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.08 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.427 ' HB3' HD12 ' A' ' 8' ' ' ILE . 9.1 tt0 -74.03 -46.81 41.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.135 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' ' 8' ' ' ILE . 1.7 tp10 -70.04 -29.1 66.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.717 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.471 HD11 ' OE2' ' B' ' 75' ' ' GLU . 7.6 mt -68.46 -40.92 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.746 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -65.07 -31.13 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.718 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.794 HD11 ' HB2' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -72.32 -70.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.817 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.739 HG23 ' HB2' ' B' ' 85' ' ' SER . 2.0 t 176.57 125.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.662 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -54.67 -26.48 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.362 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.49 -31.99 72.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.848 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.739 ' HB2' HG23 ' B' ' 82' ' ' THR . 0.2 OUTLIER -50.54 -25.16 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.744 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.48 HD23 HD12 ' B' ' 89' ' ' LEU . 35.1 mt -62.22 -28.41 69.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.587 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -43.19 78.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.547 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -62.82 -27.34 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.723 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.922 HD21 HG12 ' A' ' 5' ' ' VAL . 34.7 mt -61.2 -43.15 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.69 -53.9 52.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.02 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.25 -35.42 75.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -71.7 -47.63 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.761 0.315 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -60.3 -28.1 67.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.912 ' HB3' HD11 ' B' ' 81' ' ' LEU . 42.3 mt-30 -80.1 -44.88 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.098 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.457 ' O ' HD13 ' A' ' 9' ' ' LEU . 21.3 t -66.67 -33.95 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.279 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -68.76 -46.55 68.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.227 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.29 -36.37 73.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.235 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.816 HD11 ' CB ' ' B' ' 77' ' ' GLN . 11.5 mm -65.16 -45.03 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.571 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.809 HD11 ' CG ' ' B' ' 89' ' ' LEU . 5.8 mp -56.16 -45.88 79.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.521 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -59.94 -42.29 93.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.448 HD23 ' CD2' ' B' ' 70' ' ' LEU . 0.1 OUTLIER -63.58 -38.72 92.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.614 178.713 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.88 -39.3 74.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.035 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -65.65 -43.94 87.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.906 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.62 -43.26 99.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.398 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.683 HD12 ' HD3' ' B' ' 74' ' ' LYS . 24.3 mt -66.11 -51.48 59.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -34.52 71.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.57 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.71 -38.25 83.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.658 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.72 -50.39 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.656 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.53 -37.72 82.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.625 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -59.45 -47.35 85.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 43.7 mtm -63.69 -32.15 73.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -62.75 -49.48 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.11 -38.92 92.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -66.23 -33.15 75.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.659 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.84 -46.13 46.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.852 ' OE2' HD13 ' A' ' 37' ' ' LEU . 3.8 tt0 -63.04 -31.63 72.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.725 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -22.35 44.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.499 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -45.51 47.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 30' ' ' THR . 1.0 OUTLIER -65.23 -45.41 84.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.358 . . . . 0.0 110.615 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 174.43 119.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.7 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.75 -28.82 61.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.78 70.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.2 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.458 ' OG ' HG22 ' B' ' 57' ' ' VAL . 27.3 m -50.59 -25.1 3.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.588 HD22 ' OE2' ' A' ' 26' ' ' GLU . 4.2 mm? -63.49 -29.31 70.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.652 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -61.73 1.69 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -31.75 71.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.543 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.852 HD13 ' OE2' ' A' ' 26' ' ' GLU . 7.6 tt -63.79 -40.46 96.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.524 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -41.01 84.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.764 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -37.51 77.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.4 ttt-85 -65.65 -42.17 91.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.765 0.316 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -31.81 72.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.727 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.41 ' O ' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -81.85 -30.87 31.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.717 179.725 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 37' ' ' LEU . 2.6 t -75.93 -33.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -38.22 86.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.774 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -33.17 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.662 HG21 ' HB2' ' A' ' 26' ' ' GLU . 33.0 mm -70.66 -44.73 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.743 HD13 HD11 ' A' ' 37' ' ' LEU . 1.7 tp -61.27 -39.42 90.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.74 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -40.13 93.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.465 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.61 -34.31 76.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.679 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' B' ' 67' ' ' ILE . 73.4 tt0 -55.92 -35.88 67.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -36.2 81.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.81 -49.6 44.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -67.55 -34.12 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.513 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -63.7 -43.67 95.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.81 -32.38 72.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.347 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.66 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -72.11 -40.29 68.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.471 179.673 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.679 ' HA ' HD13 ' A' ' 15' ' ' ILE . 23.6 tt0 -68.92 -46.62 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.795 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -34.25 74.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 16.4 ttt -69.79 -42.67 73.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.738 ' HG2' HG23 ' A' ' 8' ' ' ILE . 1.6 ttpp -69.05 -43.28 75.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.51 -30.46 71.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -33.49 66.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.037 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.816 ' CB ' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.9 -46.64 62.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -64.55 -40.17 95.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.631 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -47.19 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.553 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -61.88 -32.53 72.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.333 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.912 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -61.64 -63.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.577 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.837 HG23 ' HB2' ' B' ' 85' ' ' SER . 1.4 t 170.62 123.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.331 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -54.3 -27.54 36.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.422 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.58 -36.69 81.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.895 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.837 ' HB2' HG23 ' B' ' 82' ' ' THR . 0.3 OUTLIER -50.59 -25.16 3.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.644 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.673 HD12 HD13 ' B' ' 89' ' ' LEU . 3.6 tp -63.34 -29.38 70.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.427 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -53.82 48.4 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -63.23 -27.73 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.809 ' CG ' HD11 ' A' ' 9' ' ' LEU . 3.6 tt -60.87 -47.42 86.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.904 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -51.93 67.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.12 -35.44 69.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.026 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -79.48 -37.63 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.878 0.371 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -30.24 71.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.876 ' HB3' HD11 ' B' ' 81' ' ' LEU . 0.8 OUTLIER -78.55 -45.61 21.42 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.658 ' CG1' HD12 ' B' ' 89' ' ' LEU . 23.2 t -65.99 -35.15 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.83 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -65.21 -43.11 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.655 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.98 -42.28 79.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.918 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.673 HG21 ' HB2' ' B' ' 78' ' ' GLU . 45.9 mm -60.67 -42.32 91.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.19 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.495 HD11 HD21 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -60.61 -47.94 83.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.327 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -63.16 -44.1 96.43 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.556 HD21 ' CD2' ' B' ' 70' ' ' LEU . 0.9 OUTLIER -63.05 -34.34 77.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.758 178.871 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.475 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -60.66 -43.89 97.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.995 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -63.24 -37.58 87.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.673 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.57 -47.26 84.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.905 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.685 ' CG1' HD22 ' B' ' 70' ' ' LEU . 13.0 mt -64.32 -50.99 73.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.367 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -58.57 -34.44 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.377 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.73 -46.27 90.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.281 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.674 HD23 HD21 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -61.65 -35.89 79.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.392 179.445 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -54.44 21.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -61.81 -37.48 84.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mtm -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.566 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HG3' HG23 ' B' ' 60' ' ' ILE . 6.5 ttpm? -67.11 -49.04 66.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.45 -37.71 88.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.745 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -43.1 80.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.652 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.436 ' HB3' HD12 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -65.68 -45.09 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.674 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.726 ' OE2' HD22 ' A' ' 34' ' ' LEU . 4.2 tt0 -69.85 -43.23 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.587 HD11 ' HG2' ' A' ' 31' ' ' GLU . 4.7 tp -63.99 -28.95 70.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -45.08 92.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.526 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -62.34 -51.5 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.369 179.468 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.612 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.1 t 171.22 124.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.313 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.587 ' HG2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -54.47 -25.77 27.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.353 179.73 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.98 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.067 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.612 ' OG ' HG23 ' A' ' 30' ' ' THR . 6.0 m -50.44 -24.99 3.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.726 HD22 ' OE2' ' A' ' 26' ' ' GLU . 3.3 mm? -58.35 -29.37 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.474 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -46.18 51.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.304 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -38.77 72.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.381 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.776 ' CD2' HD21 ' B' ' 61' ' ' LEU . 9.7 tt -68.09 -36.05 79.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.913 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -66.5 -50.63 62.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -62.8 -31.63 72.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.27 -31.81 43.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.888 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.661 0.267 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -33.07 59.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.83 0.348 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.808 ' HB3' HD11 ' A' ' 29' ' ' LEU . 5.7 mm-40 -81.92 -32.16 31.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.51 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.624 HG12 HD12 ' A' ' 37' ' ' LEU . 40.8 t -73.95 -32.88 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.791 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -63.09 -38.41 91.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.68 -31.84 71.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.683 HG21 ' HB2' ' A' ' 26' ' ' GLU . 41.3 mm -69.01 -42.11 81.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.776 HD21 ' CD2' ' A' ' 37' ' ' LEU . 24.9 mt -57.28 -38.99 74.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -33.72 76.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.966 0.412 . . . . 0.0 110.227 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.674 HD21 HD23 ' A' ' 18' ' ' LEU . 7.8 tt -70.16 -34.52 73.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.409 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.412 ' O ' HG22 ' B' ' 67' ' ' ILE . 5.0 tt0 -57.15 -35.85 70.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.796 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -70.72 -31.2 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.779 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -44.57 55.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.745 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.439 HD13 ' O ' ' B' ' 67' ' ' ILE . 0.0 OUTLIER -67.41 -41.98 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' B' ' 65' ' ' LYS . 16.4 pt-20 -64.96 -40.18 94.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.842 0.353 . . . . 0.0 110.586 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.75 -32.52 71.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.685 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -71.31 -35.27 71.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.632 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.685 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -75.92 -37.03 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.767 179.636 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -67.06 -36.45 82.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 23.4 ptm -73.96 -33.26 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.561 ' HD3' HD12 ' A' ' 15' ' ' ILE . 2.6 ttpp -72.78 -42.97 63.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.49 -36.54 78.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.22 -32.25 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.661 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -69.35 -46.52 66.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.281 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.673 ' HB2' HG21 ' A' ' 8' ' ' ILE . 10.8 tt0 -65.29 -40.27 93.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.896 0.379 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 tp -66.13 -44.5 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.693 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.6 t -60.4 -31.11 70.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.534 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.876 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -63.57 -65.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.638 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.657 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 176.35 120.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.524 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -54.52 -27.97 41.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.427 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.87 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 68.6 m -50.61 -25.18 3.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.537 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.88 -30.51 70.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.446 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -67.21 -50.83 59.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.388 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -71.72 -29.73 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.402 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.658 HD12 ' CG1' ' A' ' 5' ' ' VAL . 10.1 tt -71.07 -34.1 70.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -65.47 -36.9 85.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.46 -43.68 98.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -66.72 -36.45 82.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.855 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.771 0.32 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -29.82 68.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -75.08 -42.73 56.16 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.584 ' CG1' HD12 ' B' ' 89' ' ' LEU . 3.1 t -64.46 -38.31 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.911 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.18 -42.4 99.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.642 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.88 -42.51 84.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.231 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.71 HG21 ' HB2' ' B' ' 78' ' ' GLU . 5.3 mm -61.45 -44.26 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.484 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.566 HD11 ' HG3' ' B' ' 93' ' ' ARG . 0.3 OUTLIER -56.44 -38.93 72.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.29 179.68 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -65.19 -46.68 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -62.37 -34.5 76.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.598 178.825 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -59.17 -45.33 91.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.103 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -43.04 99.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.418 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' O ' HD12 ' A' ' 18' ' ' LEU . 1.3 mt-10 -59.24 -49.46 77.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.704 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.2 mt -64.47 -48.96 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.48 -34.44 74.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -40.01 92.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.375 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.948 HD23 HD23 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -63.03 -41.83 99.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.531 179.613 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.455 ' N ' HD12 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -61.43 -45.62 93.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.675 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -42.44 99.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.674 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.0 mtm -65.39 -43.16 91.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.643 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.545 ' HG3' HG23 ' B' ' 60' ' ' ILE . 23.2 ttpp -65.98 -43.47 87.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.716 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -35.98 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.697 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -71.11 -40.08 71.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.757 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.402 ' HB3' HD11 ' B' ' 60' ' ' ILE . 5.0 mm100 -67.6 -36.23 80.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.553 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.95 -45.4 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.766 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.96 -35.56 81.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -59.36 -34.96 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.675 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.854 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -77.7 -59.85 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.799 179.792 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.32 122.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.5 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -54.49 -29.67 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.078 0.466 . . . . 0.0 110.087 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.67 -29.18 68.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.4 m -50.32 -25.16 3.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.538 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.553 HD22 ' OE2' ' A' ' 26' ' ' GLU . 3.3 mm? -57.24 -27.65 62.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.359 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -52.83 17.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.01 72.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.605 ' HG ' HD21 ' B' ' 61' ' ' LEU . 8.2 tt -69.09 -38.22 78.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -69.42 -40.1 77.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.39 -32.68 72.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -42.2 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.923 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.714 0.292 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -30.8 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.854 ' HB3' HD11 ' A' ' 29' ' ' LEU . 20.5 mp0 -81.43 -31.66 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.45 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.469 HG12 HD12 ' A' ' 37' ' ' LEU . 19.8 t -70.47 -32.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.492 ' HA ' HD23 ' B' ' 61' ' ' LEU . 4.1 tt0 -61.17 -44.31 97.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.47 -29.33 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.545 HG23 ' HG3' ' A' ' 22' ' ' LYS . 38.8 mm -60.24 -33.78 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.605 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.7 mm? -62.74 -39.81 95.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.663 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.77 -38.04 83.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.729 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.948 HD23 HD23 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -62.51 -34.65 77.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.677 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -35.93 82.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -37.56 73.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -69.23 -45.88 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.455 HD12 ' N ' ' A' ' 19' ' ' GLN . 11.8 tt -66.28 -35.31 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.12 -40.87 97.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -69.63 -41.17 75.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.483 HD23 HD21 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -69.55 -32.13 70.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -41.28 84.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -47.58 85.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.4 -37.78 78.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.424 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -64.41 -52.25 59.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.067 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -65.72 -38.74 90.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.064 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -33.58 70.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.416 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 27.3 mt-30 -74.13 -44.98 51.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.046 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.71 ' HB2' HG21 ' A' ' 8' ' ' ILE . 7.0 tm-20 -69.87 -32.35 70.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.813 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.46 -18.29 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.02 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -82.52 -41.62 19.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.749 HD12 ' N ' ' B' ' 82' ' ' THR . 2.7 pp -65.98 -49.97 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.992 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.749 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 172.67 119.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.782 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.53 -30.61 67.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.161 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.28 74.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.284 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' B' ' 82' ' ' THR . 0.3 OUTLIER -50.42 -25.12 3.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.656 HD23 HD13 ' B' ' 89' ' ' LEU . 8.2 mt -60.36 -29.04 68.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.492 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -59.32 -61.53 2.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.009 0.433 . . . . 0.0 110.322 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -27.37 69.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.127 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.656 HD13 HD23 ' B' ' 86' ' ' LEU . 9.4 tt -64.64 -39.62 94.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.766 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -53.64 52.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.3 -37.43 75.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -40.67 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.566 ' HG3' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.504 0.192 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -64.89 -46.94 79.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.227 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.621 ' HB2' HD21 ' B' ' 81' ' ' LEU . 54.2 mm-40 -74.05 -41.98 60.95 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.256 0.551 . . . . 0.0 109.581 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.899 HG12 HD21 ' B' ' 89' ' ' LEU . 34.2 t -63.75 -35.4 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.133 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.76 -42.63 90.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.758 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.61 -44.69 77.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.959 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.579 HG21 ' HB2' ' B' ' 78' ' ' GLU . 10.7 mm -61.27 -39.85 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.315 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.77 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -56.2 -41.85 76.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.21 179.522 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -45.35 93.33 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.649 HD23 ' CD2' ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.19 -36.2 81.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.706 178.837 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -61.74 -35.86 79.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.18 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 48.6 mttt -69.4 -36.32 76.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.035 179.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.57 -32.53 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.369 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.658 ' O ' HD11 ' B' ' 67' ' ' ILE . 61.3 mt -75.86 -50.07 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.337 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -59.79 -33.91 72.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.438 179.508 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.19 -51.45 37.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.737 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.778 ' HB3' HD13 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -62.37 -30.25 71.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.33 -40.67 67.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.746 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -68.62 -34.25 75.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.655 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.0 tpp -67.43 -47.5 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -61.87 -41.97 98.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.791 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.6 -40.93 89.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -67.01 -40.4 87.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -61.58 -42.19 98.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.794 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -70.92 -44.15 66.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.684 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.97 -31.49 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.631 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -59.23 -37.35 77.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.3 OUTLIER -72.82 -72.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.518 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.43 122.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.476 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.51 -28.94 48.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.958 0.408 . . . . 0.0 110.071 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.24 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.825 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.666 ' HB3' HG21 ' B' ' 57' ' ' VAL . 75.0 m -50.31 -25.19 3.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.04 -24.83 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -58.88 -50.46 73.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.886 0.374 . . . . 0.0 110.297 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -67.06 -33.72 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.068 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.94 HD12 HG12 ' B' ' 57' ' ' VAL . 0.3 OUTLIER -60.75 -39.64 89.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.68 179.634 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -70.58 -47.91 57.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.74 -31.21 71.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -69.89 -49.63 50.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 39.5 p30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.618 0.247 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -31.18 43.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.641 ' HB3' HD11 ' A' ' 29' ' ' LEU . 14.8 mp0 -81.91 -29.29 32.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.678 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.94 HG12 HD12 ' A' ' 37' ' ' LEU . 21.8 t -75.42 -32.83 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.023 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.559 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.4 OUTLIER -63.7 -36.06 82.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.872 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -31.06 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 38.4 mm -61.5 -33.62 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.69 HD11 ' CD2' ' A' ' 37' ' ' LEU . 3.7 mm? -61.69 -40.27 94.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.805 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -38.29 82.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.608 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.92 -34.54 77.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.595 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -57.51 -36.58 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.707 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -69.47 -39.57 77.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.65 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.94 -44.96 87.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.658 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.778 HD13 ' HB3' ' A' ' 18' ' ' LEU . 5.7 tp -70.79 -33.98 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.623 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.3 -39.52 92.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.629 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -68.87 -40.39 79.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.555 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.649 ' CD2' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.88 -30.68 64.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.779 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.491 ' HA ' HD13 ' A' ' 15' ' ' ILE . 20.2 tt0 -74.93 -34.63 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -69.08 -43.52 74.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 3.1 ttm -61.16 -40.67 94.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.562 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -58.54 -50.04 75.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.089 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -47.94 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -35.18 78.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.354 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.404 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -73.88 -45.75 48.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.134 -179.829 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.579 ' HB2' HG21 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -73.38 -31.51 63.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.981 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.2 tt -72.83 -29.87 63.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.765 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 44.0 t -61.6 -33.47 73.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.624 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.692 ' O ' HG23 ' B' ' 82' ' ' THR . 0.9 OUTLIER -73.46 -66.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.745 179.765 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.692 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER 179.78 126.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.576 -179.77 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -54.57 -25.92 29.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.956 0.408 . . . . 0.0 110.266 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.51 -34.93 78.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.802 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 50.3 m -50.82 -25.22 4.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.813 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.727 HD12 HD12 ' B' ' 89' ' ' LEU . 5.1 tp -67.64 -29.44 68.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.34 -33.22 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.451 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -69.72 -28.76 66.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.899 HD21 HG12 ' A' ' 5' ' ' VAL . 65.9 mt -60.67 -44.25 96.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -56.16 -50.05 72.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.35 -39.87 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.764 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -40.36 87.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 t30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.758 0.313 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -62.13 -29.63 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.928 ' HB3' HD11 ' B' ' 81' ' ' LEU . 4.5 mp0 -78.8 -46.34 18.98 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 109.855 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.593 ' CG1' HD12 ' B' ' 89' ' ' LEU . 18.2 t -62.43 -38.62 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.01 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -41.32 92.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.795 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.75 -43.5 72.77 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.149 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.897 HG23 ' HG2' ' B' ' 74' ' ' LYS . 23.6 mm -63.99 -41.52 92.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.353 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.696 HD13 HD11 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -56.34 -41.03 75.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.178 179.603 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -63.04 -44.9 94.62 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -62.27 -35.26 78.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.358 178.552 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -55.85 -48.35 75.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.735 178.821 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -61.99 -33.92 75.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.804 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.3 -49.48 66.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.847 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.805 HG22 HD22 ' B' ' 70' ' ' LEU . 0.9 OUTLIER -68.66 -33.61 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.978 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -70.78 -40.64 72.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.594 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -43.03 76.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.006 0.432 . . . . 0.0 110.084 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.914 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -65.28 -42.16 93.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.443 179.507 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.641 ' HB2' HG21 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -63.27 -41.91 99.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.536 179.758 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -47.5 83.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.521 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.23 -34.88 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.464 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HG3' HD22 ' B' ' 63' ' ' LEU . 0.0 OUTLIER -61.13 -52.11 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.769 179.755 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -68.55 -31.85 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.46 -32.42 69.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -73.65 -43.7 58.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.899 ' HB2' HG21 ' B' ' 60' ' ' ILE . 1.4 tt0 -70.54 -37.24 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.738 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.69 -29.55 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.679 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -57.8 -43.43 85.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.724 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.582 HD21 ' HB2' ' B' ' 56' ' ' GLN . 0.7 OUTLIER -68.42 -60.82 2.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.503 179.704 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.532 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.6 t 174.07 127.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.591 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.49 -25.71 27.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.998 0.427 . . . . 0.0 110.297 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.37 -28.99 68.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.13 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.532 ' OG ' HG23 ' A' ' 30' ' ' THR . 9.9 m -50.36 -25.16 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.764 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.42 -28.32 68.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.551 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -65.14 -58.28 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.511 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -62.8 -33.84 76.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.301 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.0 HD21 HD13 ' B' ' 61' ' ' LEU . 0.8 OUTLIER -62.79 -41.03 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.722 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -66.12 -46.28 78.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -30.73 71.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.828 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -71.37 -35.08 70.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 18.4 p30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.724 0.297 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -40.09 84.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.582 ' HB2' HD21 ' A' ' 29' ' ' LEU . 6.5 mm-40 -78.93 -28.51 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.372 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.496 HG12 ' CD1' ' A' ' 37' ' ' LEU . 54.5 t -73.58 -32.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.872 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.18 -36.48 81.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.79 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.74 -32.89 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.899 HG21 ' HB2' ' A' ' 26' ' ' GLU . 42.2 mm -66.45 -48.78 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 1.0 HD13 HD21 ' A' ' 37' ' ' LEU . 6.6 tp -57.08 -39.69 75.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.721 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.75 72.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.019 0.438 . . . . 0.0 110.297 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.572 HD23 HD11 ' B' ' 67' ' ' ILE . 5.1 tt -68.86 -34.35 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.39 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.89 -35.91 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.695 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -56.86 -31.89 65.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.644 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -73.54 -35.79 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.536 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.914 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.1 mm -79.84 -33.93 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.233 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -39.89 65.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.449 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -69.67 -33.11 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.328 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.805 HD22 HG22 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -68.09 -30.8 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.639 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.423 ' HA ' ' NZ ' ' B' ' 74' ' ' LYS . 32.7 mt-30 -73.41 -34.87 65.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -43.81 86.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.3 ttp -74.09 -31.95 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.818 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.897 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -77.57 -38.21 48.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.193 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -30.47 63.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.205 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.22 -32.34 62.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.076 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.413 ' HB3' HD11 ' A' ' 8' ' ' ILE . 74.6 mt-30 -73.89 -46.66 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -34.3 74.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.633 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.4 -43.72 59.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -60.4 -32.29 71.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.928 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -62.34 -65.81 0.63 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.286 179.468 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' B' ' 81' ' ' LEU . 1.2 t 169.98 125.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.3 -25.88 26.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.017 0.437 . . . . 0.0 110.35 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.58 -36.59 81.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.239 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -25.34 4.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.678 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.86 -29.19 70.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.339 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -45.45 86.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.983 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -29.5 60.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.075 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.696 HD11 HD13 ' A' ' 9' ' ' LEU . 8.8 tt -72.76 -39.47 66.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.92 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.79 -39.6 91.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.676 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -51.3 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -107.43 -34.54 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -60.92 -28.11 68.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.736 ' CB ' HD22 ' B' ' 81' ' ' LEU . 4.3 mt-30 -78.39 -38.37 41.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.123 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.411 ' CG1' HD12 ' B' ' 89' ' ' LEU . 5.5 t -73.91 -32.73 34.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.083 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -66.22 -49.37 67.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.295 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -63.3 -36.88 85.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.962 0.41 . . . . 0.0 110.143 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.797 HD11 ' CG ' ' B' ' 77' ' ' GLN . 1.2 mp -65.1 -37.26 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.054 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.475 HD13 ' HG ' ' B' ' 89' ' ' LEU . 1.9 tp -63.75 -41.65 97.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.143 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.14 -39.64 90.79 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.429 ' HB3' ' CG ' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -66.3 -38.72 88.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.632 178.787 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.78 -37.36 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.478 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -63.81 -50.22 69.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.599 ' OE1' HD21 ' B' ' 70' ' ' LEU . 8.8 pt-20 -59.35 -36.5 75.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.894 HD13 ' HA ' ' B' ' 71' ' ' GLN . 20.3 mt -72.32 -53.21 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.0 0.429 . . . . 0.0 110.345 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -34.63 70.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.465 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.89 -37.83 76.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.338 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.627 HD23 HD21 ' B' ' 63' ' ' LEU . 0.2 OUTLIER -62.67 -37.77 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.648 179.776 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.66 -37.05 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -66.93 -41.29 87.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.723 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.8 ptp -70.03 -36.67 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.68 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HG2' HG23 ' B' ' 60' ' ' ILE . 9.6 ttpp -70.12 -44.32 69.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -39.04 89.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.643 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.95 -41.11 78.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.713 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -42.59 94.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.727 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.621 ' OE2' HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -66.67 -47.17 73.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.753 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -32.41 74.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.2 t -59.82 -40.67 89.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -64.71 -58.4 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.363 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.487 HG23 ' OG ' ' A' ' 33' ' ' SER . 2.6 t 175.51 123.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.379 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.43 -25.6 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.493 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.08 -28.97 68.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.202 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.529 ' OG ' HG21 ' B' ' 57' ' ' VAL . 4.6 m -50.35 -25.14 3.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.485 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 34' ' ' LEU . 3.3 mm? -57.91 -29.03 64.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.45 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.59 -50.57 64.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.392 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -39.75 93.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.298 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.802 HD12 ' CG1' ' B' ' 57' ' ' VAL . 0.2 OUTLIER -60.0 -41.5 92.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.648 179.645 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.75 -44.37 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -45.26 95.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.769 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -61.99 -44.08 97.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -43.28 80.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -37.05 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -64.14 -32.37 73.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -76.74 -23.27 53.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.8 mp -97.93 65.47 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.805 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -127.94 130.01 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -77.05 131.75 38.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mp -103.37 153.52 20.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.74 -53.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.56 -44.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.016 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -149.37 -45.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -32.37 67.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.586 ' HB3' HD11 ' A' ' 29' ' ' LEU . 4.6 mm-40 -81.87 -34.01 30.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.802 ' CG1' HD12 ' A' ' 37' ' ' LEU . 30.4 t -73.15 -32.85 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.809 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.506 ' HA ' HD23 ' B' ' 61' ' ' LEU . 1.1 mt-10 -63.71 -36.04 82.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.782 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -31.18 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.535 HG23 ' HG2' ' A' ' 22' ' ' LYS . 36.5 mt -63.6 -33.88 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.687 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.9 mm? -56.59 -38.13 71.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.736 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -69.33 -32.89 72.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.559 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.627 HD21 HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -70.57 -34.58 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.714 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -59.76 -37.71 79.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.698 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -66.17 -40.54 90.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.693 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -49.38 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.71 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -67.46 -34.1 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.33 -42.84 61.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.37 -39.76 85.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.602 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.755 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -61.7 -33.51 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.615 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.894 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -69.8 -33.27 72.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.08 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -61.21 -39.06 88.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -32.05 63.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.67 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -74.19 -41.22 61.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.458 ' O ' HD23 ' B' ' 79' ' ' LEU . 3.2 mt-10 -69.93 -37.63 75.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -32.24 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.755 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.797 ' CG ' HD11 ' A' ' 8' ' ' ILE . 1.2 tp-100 -67.45 -46.38 73.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.325 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.48 -36.55 79.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 110.947 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.458 HD23 ' O ' ' B' ' 75' ' ' GLU . 4.1 mm? -75.7 -12.83 60.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 52.8 p -84.15 -44.81 13.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.302 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.782 HD12 ' N ' ' B' ' 82' ' ' THR . 3.3 pp -70.76 -54.83 10.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 0.0 111.044 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.782 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.2 OUTLIER -171.69 119.41 0.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.786 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -60.59 -31.65 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.034 0.445 . . . . 0.0 110.114 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.14 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.403 ' OG ' HD11 ' B' ' 81' ' ' LEU . 8.9 p -50.45 -25.06 3.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.792 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 86' ' ' LEU . 10.5 tp -62.41 -28.63 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -59.5 -60.67 3.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.444 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -63.43 -29.1 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.384 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.545 ' C ' HD23 ' B' ' 89' ' ' LEU . 9.1 tt -67.05 -36.3 81.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.851 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -60.21 -42.27 94.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.28 -40.67 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.08 84.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -71.54 -41.17 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.39 -20.59 66.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -79.3 0.07 30.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.603 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -95.0 29.53 2.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.701 0.286 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.69 -28.17 33.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -97.42 33.73 1.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.37 -179.07 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.83 126.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 61.76 57.49 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.6 111.43 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.906 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.14 -25.17 11.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -34.82 72.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.849 ' HB3' HD11 ' B' ' 81' ' ' LEU . 5.7 mm100 -75.76 -41.57 52.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 1.063 HG12 HD21 ' B' ' 89' ' ' LEU . 13.9 t -64.43 -36.41 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.916 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -66.7 -40.41 88.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.801 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -47.62 77.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.165 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.686 HG23 ' HG2' ' B' ' 74' ' ' LYS . 27.3 mm -63.77 -34.62 69.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.336 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.752 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -57.16 -45.61 83.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.265 179.582 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -65.5 -42.87 91.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.699 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -34.61 76.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.81 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 2.7 tm-20 -64.19 -41.0 97.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.15 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -61.69 -40.85 96.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -48.39 81.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.602 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.889 HD13 ' HA ' ' B' ' 71' ' ' GLN . 10.2 mt -66.09 -48.36 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.506 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -59.58 -34.45 72.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.33 179.549 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -70.29 -33.53 71.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.487 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -51.6 40.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -60.24 -39.9 88.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.098 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HG2' ' HA ' ' A' ' 17' ' ' ASP . 15.6 ptm180 -70.21 -34.32 72.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 110.167 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 ttp -73.68 -32.86 64.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.54 -47.18 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.577 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -36.66 82.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.694 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.14 -41.23 81.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.777 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.57 -41.55 98.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.711 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' OE1' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -69.15 -42.18 76.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.709 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.2 -40.5 94.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.635 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -37.14 73.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.418 . . . . 0.0 110.27 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.1 OUTLIER -66.73 -68.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.261 179.382 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 m -166.54 120.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.329 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -54.47 -27.02 34.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.369 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.01 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.645 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.512 ' OG ' HG21 ' B' ' 57' ' ' VAL . 64.8 m -50.34 -25.01 3.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.694 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD22 ' OE1' ' A' ' 26' ' ' GLU . 1.6 mm? -59.98 -28.21 67.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.421 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -74.47 -54.44 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.732 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -36.85 85.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.615 ' HG ' HD21 ' B' ' 61' ' ' LEU . 10.2 tt -67.73 -40.8 84.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.743 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -69.14 -40.44 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.59 -44.04 97.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.74 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -63.69 -41.78 98.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -38.76 76.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -37.19 66.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -35.54 75.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.06 -23.23 35.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.25 139.74 37.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.34 32.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.801 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 60.33 -175.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mp -77.85 -52.17 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.92 115.26 19.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -92.02 -52.65 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.992 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -154.55 -46.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -67.67 -35.51 78.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.845 ' HB3' HD11 ' A' ' 29' ' ' LEU . 57.4 mm-40 -80.28 -29.49 38.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.541 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.518 HG12 HD12 ' A' ' 37' ' ' LEU . 43.7 t -71.75 -32.75 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.633 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.533 ' HA ' HD23 ' B' ' 61' ' ' LEU . 10.7 tt0 -58.26 -43.67 88.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.448 ' OE2' HD13 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -59.64 -27.41 66.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.886 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.448 HD13 ' OE2' ' B' ' 59' ' ' GLU . 39.7 mm -64.1 -33.65 63.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.615 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.9 mm? -61.96 -41.64 98.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.653 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -59.91 -36.98 78.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.741 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.28 -34.7 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.414 ' HA ' HG22 ' B' ' 67' ' ' ILE . 8.3 tm-20 -60.33 -36.68 78.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.754 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.94 -35.69 64.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -38.4 65.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.781 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -72.98 -41.57 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.416 ' N ' HG23 ' B' ' 67' ' ' ILE . 2.8 pp20? -68.16 -36.62 79.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.604 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -69.67 -33.87 73.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.759 HD22 ' CG1' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -72.71 -34.07 66.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.622 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.889 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.7 tt0 -68.18 -41.05 82.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -58.18 -36.26 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -32.87 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.686 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -78.77 -38.35 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -74.84 -30.67 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -73.44 -32.44 64.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.444 ' HB3' HD11 ' A' ' 8' ' ' ILE . 6.6 mt-30 -71.29 -46.69 60.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.593 ' HB2' HG21 ' A' ' 8' ' ' ILE . 4.4 tt0 -63.94 -34.06 77.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 0.0 110.831 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -51.17 33.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.636 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -61.66 -28.14 69.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.849 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.4 OUTLIER -65.69 -67.17 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.683 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.647 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 174.64 119.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.607 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -28.11 43.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.447 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.54 83.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.78 -25.68 4.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -26.22 62.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.699 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -36.4 78.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.734 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -73.24 -32.47 64.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.659 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 1.063 HD21 HG12 ' A' ' 5' ' ' VAL . 64.7 mt -63.59 -32.08 73.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.762 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -53.68 55.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -66.24 -30.78 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -39.51 66.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -27.97 38.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.65 -31.54 65.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.042 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -22.28 60.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.49 -23.14 37.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.308 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.32 125.7 49.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.869 0.366 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -34.85 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.38 159.45 44.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.77 -53.21 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.69 -51.14 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.795 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.97 -78.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.779 0.323 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -111.2 -27.71 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.023 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -59.63 -29.76 68.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.196 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.774 ' CB ' HD11 ' B' ' 81' ' ' LEU . 5.7 mp0 -78.3 -44.72 24.54 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.069 0.462 . . . . 0.0 109.936 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 1.048 HG12 HD21 ' B' ' 89' ' ' LEU . 3.8 t -65.19 -35.66 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.17 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.4 -42.47 83.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.964 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.08 -46.88 78.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.701 HG23 ' HG2' ' B' ' 74' ' ' LYS . 29.2 mm -63.89 -34.08 66.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.226 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.725 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -57.12 -48.7 78.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.17 179.397 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -64.4 -40.24 95.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.18 0.514 . . . . 0.0 109.696 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -35.41 79.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.955 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.61 -42.37 95.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.385 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -43.02 99.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.72 -45.39 92.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.898 HD13 ' HA ' ' B' ' 71' ' ' GLN . 11.1 mt -69.11 -45.31 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -34.44 76.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.445 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -69.59 -39.07 77.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.474 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 0.2 OUTLIER -71.28 -34.62 70.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.857 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -40.67 74.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -67.76 -42.87 81.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.269 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.474 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 1.9 ptp -68.0 -32.03 72.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.42 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -50.14 71.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.39 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -62.65 -44.1 97.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.675 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -38.71 84.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.668 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -45.21 93.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.31 -37.91 74.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.751 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.88 -34.79 77.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.585 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -41.23 86.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -61.58 -51.36 68.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.295 179.495 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 33' ' ' SER . 1.0 OUTLIER 169.53 123.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.185 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -54.44 -25.96 28.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.7 -32.77 73.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.444 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.652 ' OG ' HG21 ' B' ' 57' ' ' VAL . 0.4 OUTLIER -50.5 -25.13 3.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.738 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 34' ' ' LEU . 1.2 mm? -61.47 -27.99 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.288 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.92 -46.65 74.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.372 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.79 -40.72 83.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.298 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.013 HD11 HD13 ' B' ' 61' ' ' LEU . 0.9 OUTLIER -59.4 -36.76 76.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.604 179.633 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -39.94 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -66.29 -45.03 81.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.967 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -64.91 -37.24 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -78.53 -47.0 18.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.23 -33.6 71.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -59.34 -29.72 67.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.65 29.59 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -117.6 137.3 52.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.412 ' H ' HD23 ' A' ' 45' ' ' LEU . 5.3 ptp85 -157.93 41.55 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.74 142.13 18.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mt -83.35 82.03 8.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -103.41 31.38 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.04 139.41 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.668 ' O ' HG23 ' B' ' 57' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -90.26 -29.47 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -32.51 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.774 ' HB3' HD11 ' A' ' 29' ' ' LEU . 11.9 mt-30 -81.75 -31.59 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.502 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 53' ' ' GLU . 26.4 t -72.15 -32.7 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.86 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -72.06 -31.56 66.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.59 -41.92 92.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.8 mt -60.47 -33.41 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 1.013 HD13 HD11 ' A' ' 37' ' ' LEU . 3.7 tp -59.39 -37.12 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.493 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -35.3 80.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.161 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.8 -34.21 77.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.356 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' B' ' 67' ' ' ILE . 8.8 tt0 -55.86 -35.96 67.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.821 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -31.7 72.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -49.44 30.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.463 HG22 ' HA ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -69.09 -37.12 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.407 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -68.03 -41.73 81.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.552 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -69.62 -32.85 71.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.018 0.437 . . . . 0.0 110.464 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.721 HD22 ' CG1' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -72.73 -34.68 67.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.624 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.898 ' HA ' HD13 ' A' ' 15' ' ' ILE . 22.2 tt0 -70.77 -29.15 65.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 -64.49 -38.81 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 1.3 ttt -73.81 -34.55 64.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.701 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -75.28 -39.09 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.68 -38.74 62.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -70.65 -32.37 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.451 ' HB3' HD11 ' A' ' 8' ' ' ILE . 13.9 mt-30 -71.81 -46.7 57.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.675 ' HB2' HG21 ' A' ' 8' ' ' ILE . 1.9 tm-20 -69.36 -37.13 77.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.372 . . . . 0.0 110.738 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.694 ' O ' HD23 ' B' ' 79' ' ' LEU . 4.1 tt -67.95 -40.53 83.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.641 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 45.4 t -68.99 -30.45 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.505 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -64.44 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.684 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.578 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.0 OUTLIER 177.01 119.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.685 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -28.56 48.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.932 0.396 . . . . 0.0 110.435 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.31 -32.95 74.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.939 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 73.4 m -50.62 -25.18 3.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.764 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.598 HD23 HD12 ' B' ' 89' ' ' LEU . 11.9 mt -65.85 -27.83 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -65.9 -46.42 78.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.4 ' CE ' HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -68.82 -28.43 66.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.751 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 1.048 HD21 HG12 ' A' ' 5' ' ' VAL . 21.0 mt -67.36 -31.51 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.06 -43.06 86.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.43 -43.19 97.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -73.28 -33.93 65.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -35.12 65.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -31.9 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -65.27 79.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -103.33 29.49 5.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.447 HD12 ' N ' ' B' ' 97' ' ' LEU . 1.0 OUTLIER -117.56 150.34 39.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.99 169.23 17.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.61 167.75 21.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' B' ' 100' ' ' LEU . 0.2 OUTLIER -107.73 85.93 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -169.54 171.61 7.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.85 168.93 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.916 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -176.43 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.784 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.85 -39.46 90.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.81 -42.03 58.85 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.821 HG12 HD21 ' B' ' 89' ' ' LEU . 3.8 t -63.47 -41.04 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.245 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.31 -41.88 98.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.937 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -42.93 80.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.414 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.57 HG23 ' HG2' ' B' ' 74' ' ' LYS . 4.7 mm -63.7 -41.11 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.723 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -56.22 -41.46 75.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.321 179.663 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -63.32 -46.35 87.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.164 0.507 . . . . 0.0 109.695 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.681 HD22 HD11 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -62.27 -34.59 76.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.687 178.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.79 -42.38 93.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.016 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' HG2' ' A' ' 16' ' ' GLU . 31.4 mttp -62.89 -42.08 99.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.091 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.9 -39.48 93.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.872 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.681 HD11 HD22 ' A' ' 11' ' ' LEU . 6.2 mt -70.93 -48.21 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.823 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -66.56 -33.85 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.811 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 40.7 t0 -68.28 -43.68 77.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.84 0.352 . . . . 0.0 110.505 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.513 HD23 HD21 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -65.49 -35.25 80.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 179.713 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -48.54 78.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.519 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -66.52 -34.16 77.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.536 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -44.03 88.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.784 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.73 -49.92 74.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -65.0 -42.26 94.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -68.93 -32.44 72.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.726 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -71.23 -46.57 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.676 ' HB2' HG21 ' B' ' 60' ' ' ILE . 0.6 OUTLIER -67.39 -37.33 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.688 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -41.59 97.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.554 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -58.69 -32.95 69.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.971 0.415 . . . . 0.0 110.346 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.732 HD11 ' CB ' ' B' ' 56' ' ' GLN . 0.5 OUTLIER -68.16 -54.91 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.338 179.49 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 177.64 119.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.496 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.87 -28.9 53.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.36 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.58 69.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.0 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.6 m -50.76 -24.92 3.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 34' ' ' LEU . 1.3 mm? -63.21 -29.31 70.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.93 18.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -63.02 -39.77 95.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.443 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.85 HD11 HD13 ' B' ' 61' ' ' LEU . 0.4 OUTLIER -62.29 -41.91 98.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.809 179.716 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.53 -40.43 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.32 -40.0 95.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -46.28 88.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -69.0 -39.17 79.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.62 -28.32 63.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -57.22 -30.76 64.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -85.25 -23.36 28.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mp -101.97 164.87 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.61 149.32 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.99 162.81 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mt -143.95 -178.98 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.64 -54.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 60.27 169.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.6 ' O ' HG23 ' B' ' 57' ' ' VAL . 2.6 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.82 0.343 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -55.64 -32.17 62.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -64.78 -34.81 79.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.732 ' CB ' HD11 ' A' ' 29' ' ' LEU . 9.7 mm100 -80.62 -32.87 36.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.429 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.704 HG12 HD12 ' A' ' 37' ' ' LEU . 24.7 t -70.33 -32.67 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.806 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.79 -34.72 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.683 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.48 -32.8 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.676 HG21 ' HB2' ' A' ' 26' ' ' GLU . 39.1 mm -63.68 -34.05 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.772 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.85 HD13 HD11 ' A' ' 37' ' ' LEU . 1.2 tp -65.12 -39.12 92.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -36.55 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.513 HD21 HD23 ' A' ' 18' ' ' LEU . 1.6 tt -63.44 -34.38 77.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.683 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -55.69 -35.96 66.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -31.2 72.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.631 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.574 ' O ' HD12 ' B' ' 70' ' ' LEU . 4.7 tt0 -71.85 -49.07 41.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.747 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.419 ' HB ' ' HB3' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -67.68 -35.12 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -68.12 -38.82 82.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.706 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.79 -46.95 88.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.681 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.574 HD12 ' O ' ' B' ' 66' ' ' GLU . 1.5 mt -62.43 -33.59 75.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.05 -50.79 64.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -43.99 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -32.07 73.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.601 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.57 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -69.12 -50.81 44.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.071 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.52 -37.08 85.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -34.2 72.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.103 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.424 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -74.03 -46.33 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.976 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.57 ' HA ' HD21 ' B' ' 81' ' ' LEU . 1.5 tt0 -64.86 -29.21 70.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.88 -24.53 41.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.664 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.31 -44.2 46.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.66 HD12 ' N ' ' B' ' 82' ' ' THR . 2.7 pp -67.1 -48.07 69.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.66 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 176.31 119.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.947 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -59.72 -29.49 68.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.338 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.33 -30.91 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 70.4 m -50.53 -25.3 3.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.556 HD22 ' OE2' ' B' ' 78' ' ' GLU . 4.1 mm? -60.94 -32.42 71.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -31.5 59.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -31.58 71.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.821 HD21 HG12 ' A' ' 5' ' ' VAL . 42.5 mt -59.83 -42.75 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -49.33 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.035 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.67 -32.58 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.025 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -41.04 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.141 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -30.63 53.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.73 -47.54 83.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -79.3 59.44 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -107.46 -23.12 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tp -64.45 139.37 58.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -144.27 115.26 7.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.38 105.48 16.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 40.9 tp -130.43 151.23 51.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -89.86 -40.76 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.02 -34.77 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.81 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.826 0.346 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -120.19 -41.75 2.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.786 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -28.17 66.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -75.64 -41.17 54.88 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' B' ' 85' ' ' SER . 2.9 t -64.88 -37.84 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.135 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.46 -42.03 92.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.072 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -44.76 84.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.482 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' B' ' 78' ' ' GLU . 5.4 mm -64.5 -36.66 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.704 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.625 HD13 HD11 ' B' ' 89' ' ' LEU . 0.5 OUTLIER -59.53 -45.61 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.331 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tpp85 -62.33 -44.82 95.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.122 0.486 . . . . 0.0 109.7 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -62.44 -35.51 79.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.766 179.051 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.19 -45.34 91.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.279 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -39.76 92.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.156 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.17 -43.62 92.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.472 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.834 HD12 ' HE3' ' B' ' 74' ' ' LYS . 38.8 mt -73.47 -38.14 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.311 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -39.28 93.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.88 -38.83 76.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.426 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.825 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -71.08 -33.97 70.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.588 179.706 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -71.51 -46.6 59.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.752 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -65.29 -34.36 78.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.656 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 ttp -67.4 -42.32 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.727 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.99 -47.86 84.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.742 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.532 ' O ' HD13 ' A' ' 27' ' ' LEU . 15.4 mt-10 -66.6 -38.6 87.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -69.18 -36.39 77.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -66.8 -43.09 84.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.723 ' OE1' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -68.12 -44.54 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 23' ' ' GLU . 5.2 mp -62.27 -32.87 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.741 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 p -57.12 -36.84 71.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.49 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 30' ' ' THR . 0.3 OUTLIER -69.89 -54.43 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.333 179.554 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 174.42 121.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.364 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -54.51 -29.03 49.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 -28.96 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.778 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.1 m -50.08 -25.09 3.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.685 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.723 HD22 ' OE1' ' A' ' 26' ' ' GLU . 3.3 mm? -58.54 -27.48 64.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -65.83 -40.98 92.3 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.717 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -65.02 -48.51 73.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.602 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.101 HD21 HG12 ' B' ' 57' ' ' VAL . 84.4 mt -56.08 -39.51 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.123 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.1 -39.03 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -34.67 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -31.73 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.505 ' NH1' HD22 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -72.42 -32.01 65.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -76.16 -31.12 58.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -33.13 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -23.21 18.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.055 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.16 38.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -103.49 -39.24 6.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -95.1 146.99 23.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.8 mp -77.62 78.6 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -96.22 153.04 18.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -142.98 -47.19 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.498 ' O ' HG23 ' B' ' 57' ' ' VAL . 2.4 mm-40 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -109.86 -33.16 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -61.09 -32.31 71.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.53 ' CB ' HD21 ' A' ' 29' ' ' LEU . 14.8 mt-30 -81.95 -35.47 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.39 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 1.101 HG12 HD21 ' A' ' 37' ' ' LEU . 28.5 t -74.64 -32.91 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.866 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -33.26 75.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.763 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.55 -35.04 75.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.686 HG21 ' HB2' ' A' ' 26' ' ' GLU . 36.7 mm -62.89 -37.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.798 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.824 HD21 HD22 ' A' ' 37' ' ' LEU . 44.9 mt -60.34 -46.96 88.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 ttt-85 -61.39 -32.8 72.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.417 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.718 ' CD2' HD11 ' B' ' 67' ' ' ILE . 1.9 tt -65.8 -34.52 78.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.556 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.19 -35.82 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.734 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -58.77 -34.76 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -32.06 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.727 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.825 HD12 ' HB3' ' A' ' 18' ' ' LEU . 3.3 mm -75.0 -44.69 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -68.17 -36.94 80.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.683 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.49 -43.39 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.783 HD22 HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -68.34 -39.46 81.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.437 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.799 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.6 tt0 -64.53 -42.54 95.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -38.6 71.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 6.5 ttt -74.07 -31.99 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.739 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.834 ' HE3' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -71.15 -41.72 70.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -69.33 -43.51 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -65.44 -32.31 73.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.419 ' HB3' HD12 ' A' ' 8' ' ' ILE . 14.4 tt0 -72.63 -46.57 53.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.321 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.758 ' OE2' HD22 ' B' ' 86' ' ' LEU . 0.6 OUTLIER -68.33 -29.08 67.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tp -80.77 -20.82 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.821 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.81 -43.05 31.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.707 HD12 ' N ' ' B' ' 82' ' ' THR . 2.0 pp -63.98 -49.73 71.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.732 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.707 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 175.47 119.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -29.26 61.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.47 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -29.21 68.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.949 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.621 ' OG ' HD11 ' B' ' 81' ' ' LEU . 60.2 p -50.57 -25.28 3.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.653 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.758 HD22 ' OE2' ' B' ' 78' ' ' GLU . 2.4 mm? -61.09 -30.26 70.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.528 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -72.48 -60.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.535 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -59.89 -30.5 69.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.628 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.625 HD11 HD13 ' A' ' 9' ' ' LEU . 9.0 tt -64.97 -41.24 95.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.9 -42.35 94.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.46 -31.04 67.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.16 80.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.29 -30.18 38.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.7 -41.95 91.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -79.24 74.66 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.09 29.54 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.15 30.12 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 58.52 32.99 22.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -113.5 106.99 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 12.3 mt -132.37 -46.5 0.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -150.99 -175.35 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -135.61 31.36 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.85 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.694 0.283 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -177.94 -38.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -28.79 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.946 ' HB3' HD11 ' B' ' 81' ' ' LEU . 5.6 mt-30 -77.99 -43.0 30.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.082 0.467 . . . . 0.0 109.887 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 1.027 HG12 HD21 ' B' ' 89' ' ' LEU . 2.8 t -68.21 -34.13 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.079 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -43.96 82.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.826 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -40.1 85.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.206 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' HG2' ' B' ' 74' ' ' LYS . 22.6 mm -62.22 -42.3 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.501 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.867 ' CD2' HD22 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -57.25 -52.47 65.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.105 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 ttm-85 -58.29 -38.44 77.05 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -65.07 -37.27 86.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.601 178.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -43.18 82.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.956 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -64.96 -40.73 95.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.065 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.84 -47.58 82.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.442 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.707 HD13 ' HA ' ' B' ' 71' ' ' GLN . 19.4 mt -65.4 -49.52 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -35.19 74.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.464 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.51 -39.47 88.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.434 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.536 HD23 HD21 ' B' ' 63' ' ' LEU . 0.4 OUTLIER -63.24 -39.81 95.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.531 179.61 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -47.3 84.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.738 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -59.97 -43.82 94.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.599 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.53 -32.54 74.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -52.6 55.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.67 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -33.49 74.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -68.67 -34.82 76.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.729 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -38.48 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.636 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.761 ' HG2' HD12 ' B' ' 60' ' ' ILE . 0.1 OUTLIER -72.96 -43.81 61.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 179.769 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -66.99 -34.86 78.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.653 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -59.0 -36.8 75.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.156 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.753 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -70.87 -69.25 0.38 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.287 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 m -166.88 122.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.263 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.38 -26.31 29.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.415 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.46 -28.97 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.93 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.485 ' HB3' HG11 ' B' ' 57' ' ' VAL . 26.9 m -50.11 -25.03 3.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.75 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.59 -26.79 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.557 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -68.73 -44.24 74.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.704 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.656 ' HZ1' HG21 ' B' ' 57' ' ' VAL . 4.8 mtmp? -68.29 -42.87 78.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.228 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.672 HD12 HG12 ' B' ' 57' ' ' VAL . 0.2 OUTLIER -58.16 -38.33 76.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.821 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -70.23 -49.82 46.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -31.83 73.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -67.88 -43.58 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -47.61 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -26.74 65.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -30.1 63.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.29 -23.3 65.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 mp -105.82 -68.56 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.89 35.47 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.76 155.75 14.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.19 155.31 31.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.04 95.78 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.65 123.38 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.759 ' O ' HG23 ' B' ' 57' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -79.19 -31.01 43.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -30.29 71.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.753 ' HB3' HD11 ' A' ' 29' ' ' LEU . 26.0 mt-30 -82.0 -34.68 29.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.568 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.759 HG23 ' O ' ' B' ' 53' ' ' GLU . 11.7 t -72.97 -32.94 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.826 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.534 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.5 OUTLIER -62.78 -37.89 88.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.586 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.75 -31.34 72.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.761 HD12 ' HG2' ' A' ' 26' ' ' GLU . 20.7 mt -62.36 -33.54 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.607 HD21 ' HG ' ' A' ' 37' ' ' LEU . 4.2 mm? -57.79 -44.73 86.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -62.2 -32.98 73.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.613 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.536 HD21 HD23 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -67.03 -34.73 78.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.622 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -58.7 -35.96 73.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.691 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -66.56 -34.41 77.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -49.45 52.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.401 HG23 ' N ' ' B' ' 68' ' ' GLU . 0.0 OUTLIER -67.1 -39.98 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 179.492 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.401 ' N ' HG23 ' B' ' 67' ' ' ILE . 1.8 mt-10 -63.85 -42.38 97.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.378 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -69.66 -32.94 71.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.417 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.668 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -70.66 -36.36 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.533 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.707 ' HA ' HD13 ' A' ' 15' ' ' ILE . 17.8 tt0 -74.61 -35.05 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -35.1 78.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 19.1 ptm -73.82 -35.57 64.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.726 ' HG2' HG23 ' A' ' 8' ' ' ILE . 5.2 ttpp -73.51 -43.05 60.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.767 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.36 -34.54 77.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.88 -32.27 59.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.523 ' HB3' HD11 ' A' ' 8' ' ' ILE . 4.2 mm-40 -70.74 -41.36 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -68.89 -43.23 75.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -38.76 92.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.7 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 t -70.84 -29.92 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.946 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -66.01 -66.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.652 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.671 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 176.65 119.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.743 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -54.84 -28.19 47.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -32.22 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.058 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 62.0 m -50.63 -25.18 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.769 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' B' ' 86' ' ' LEU . 15.0 mt -64.58 -28.66 69.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.708 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -74.73 -30.72 61.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.761 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -76.33 -35.15 58.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 1.027 HD21 HG12 ' A' ' 5' ' ' VAL . 90.3 mt -67.08 -36.81 82.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.734 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -59.23 -39.04 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.94 -36.12 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -77.3 -35.83 54.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -36.69 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.33 -41.5 76.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -67.48 -21.44 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.61 -23.31 66.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.16 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 mp -87.1 -75.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.879 0.371 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -77.02 166.13 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.06 139.21 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.5 99.66 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.97 -56.84 2.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -118.77 156.98 28.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.846 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.759 0.314 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.78 -23.41 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -65.85 -30.4 71.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.026 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.908 ' HB3' HD11 ' B' ' 81' ' ' LEU . 61.2 mt-30 -79.91 -48.47 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.041 0.448 . . . . 0.0 109.81 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.714 ' CG1' HD12 ' B' ' 89' ' ' LEU . 12.8 t -65.39 -33.01 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.011 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.56 -41.46 75.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.894 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.01 -42.52 85.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.212 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.56 HG21 ' HG3' ' B' ' 78' ' ' GLU . 16.9 mm -67.78 -36.86 77.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.665 HD13 HD11 ' B' ' 89' ' ' LEU . 1.2 tp -58.98 -42.49 90.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.195 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -65.51 -44.74 86.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -62.32 -34.51 76.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.699 178.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -60.34 -46.59 89.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.089 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -59.94 -41.07 91.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.355 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.46 -49.43 77.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.661 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.702 HG13 HD22 ' B' ' 70' ' ' LEU . 3.4 mt -67.39 -41.93 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -38.07 84.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.333 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.9 -33.22 71.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.293 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.937 HD22 HG22 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -72.64 -38.48 67.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.655 179.73 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -67.92 -45.13 75.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.71 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -39.48 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.689 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 tpp -64.2 -39.44 93.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.803 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -67.11 -45.83 76.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.786 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.3 -41.88 96.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -35.17 79.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.727 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.561 ' HB3' HD12 ' B' ' 60' ' ' ILE . 3.8 tp-100 -66.31 -45.62 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' HB2' HG21 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -66.92 -45.11 78.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.34 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.734 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.52 -40.99 88.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -68.7 -55.58 10.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.631 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.62 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.2 t 176.9 125.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.462 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.42 -25.72 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.522 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.02 -28.91 68.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.004 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.62 ' OG ' HG23 ' A' ' 30' ' ' THR . 12.0 m -50.27 -25.1 3.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.601 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 34' ' ' LEU . 4.0 mm? -58.32 -29.63 66.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -70.34 -53.22 17.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.484 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -67.57 -34.76 77.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.517 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.628 ' HG ' HD21 ' B' ' 61' ' ' LEU . 3.2 tt -66.97 -33.2 75.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -46.83 57.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.72 -33.97 74.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -36.07 58.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.561 HH22 HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.57 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -78.59 -29.91 46.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -30.1 69.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.999 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.72 -23.27 31.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.268 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.561 HD13 HH22 ' A' ' 41' ' ' ARG . 6.1 tp -106.43 158.35 16.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.68 -175.69 4.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -106.74 -52.53 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.93 97.94 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 60.02 170.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.37 -57.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.811 ' O ' HG23 ' B' ' 57' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -65.45 -30.52 71.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -63.11 -37.59 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.45 ' HB2' HD21 ' A' ' 29' ' ' LEU . 32.5 mm-40 -79.51 -29.54 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.42 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.811 HG23 ' O ' ' B' ' 53' ' ' GLU . 40.1 t -72.28 -33.03 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.83 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.54 -37.71 82.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.699 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -31.26 71.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 25' ' ' GLN . 38.8 mm -60.55 -44.66 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.628 HD21 ' HG ' ' A' ' 37' ' ' LEU . 62.7 mt -59.68 -35.34 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.605 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -36.7 81.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.497 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.72 -34.41 77.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.499 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.44 -37.05 69.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.792 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -62.68 -31.49 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.53 -48.67 31.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.937 HG22 HD22 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.68 -33.56 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.762 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.45 ' N ' HG13 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -68.7 -47.63 65.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.613 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.42 -39.19 86.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.35 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.702 HD22 HG13 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -72.9 -31.15 64.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.538 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.559 ' CB ' HG21 ' A' ' 15' ' ' ILE . 10.2 tt0 -75.8 -28.67 58.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -68.92 -45.39 70.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.2 ttm -68.11 -31.94 71.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.571 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -72.55 -44.75 61.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.115 -179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -71.03 -37.29 72.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.063 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -32.3 70.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.779 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.445 ' HB3' HD11 ' A' ' 8' ' ' ILE . 1.4 mt-30 -69.03 -46.74 67.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.56 ' HG3' HG21 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -66.09 -38.38 88.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.609 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -45.11 91.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.578 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -61.57 -25.38 67.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -69.37 -71.75 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.519 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.721 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.6 OUTLIER -178.67 120.67 0.08 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.46 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -54.29 -27.73 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.434 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.36 -31.23 71.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.832 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 66.4 p -50.48 -25.31 3.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.588 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.403 HD23 ' O ' ' B' ' 83' ' ' GLU . 4.3 mm? -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.572 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.92 -57.84 6.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.545 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -66.77 -31.66 72.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.714 HD12 ' CG1' ' A' ' 5' ' ' VAL . 10.1 tt -67.96 -32.96 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.755 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -66.84 -34.52 77.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -61.65 -40.7 95.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -68.8 -41.97 77.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -44.23 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.93 -34.49 71.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -78.78 79.39 5.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -102.81 -23.26 13.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.39 147.99 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -149.63 31.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.823 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 11.7 mtp-105 -91.24 93.17 8.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.768 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt 60.06 172.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -145.98 42.97 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 61.14 91.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.897 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 5' ' ' VAL . 5.1 mt-10 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.851 0.358 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -56.95 -39.7 75.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -27.96 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -78.55 -45.12 22.56 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.946 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.586 HG12 HD12 ' B' ' 89' ' ' LEU . 3.1 t -65.46 -36.68 78.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.021 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.08 -42.38 89.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.931 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.4 -43.45 83.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.342 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' B' ' 78' ' ' GLU . 8.8 mm -67.74 -34.91 70.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.511 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.621 HD13 HD11 ' B' ' 89' ' ' LEU . 1.2 tp -60.47 -42.82 96.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.236 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -44.83 90.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.327 0.584 . . . . 0.0 109.427 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.404 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -62.34 -34.62 77.0 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.738 178.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.09 -42.38 98.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.946 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -62.78 -39.2 93.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.179 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.25 -43.88 95.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.582 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.846 HD13 ' HA ' ' B' ' 71' ' ' GLN . 21.9 mt -72.47 -42.22 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.397 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -36.03 82.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.284 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.89 -39.21 76.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.336 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.958 HD22 HG22 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -65.95 -45.07 83.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.541 179.553 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.35 -45.82 89.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.624 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -65.62 -43.21 90.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.709 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.658 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -70.27 -41.4 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -68.41 -38.56 81.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -37.34 84.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.767 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -68.11 -46.63 70.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.8 ' HB2' HG21 ' B' ' 60' ' ' ILE . 1.2 tt0 -66.05 -36.56 83.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.717 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.52 -34.29 73.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -32.51 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.632 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -71.68 -71.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.542 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -166.08 123.07 1.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.541 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -28.59 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.118 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.6 -29.15 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.774 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 m -50.35 -25.08 3.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.807 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.419 HD22 ' OE2' ' A' ' 26' ' ' GLU . 1.7 mm? -59.96 -29.59 68.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.434 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -57.66 3.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -31.4 72.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.447 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.788 HD12 HG12 ' B' ' 57' ' ' VAL . 5.5 tt -67.62 -43.26 80.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -71.63 -39.91 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -46.66 88.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -48.05 80.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.499 ' HG3' HD22 ' B' ' 61' ' ' LEU . 0.2 OUTLIER -63.76 -46.85 83.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.861 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.38 -27.88 69.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -58.29 -32.72 68.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.975 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.43 -23.25 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -29.83 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 158.0 11.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.35 104.86 8.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -138.06 153.06 49.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -84.0 111.81 19.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.3 105.14 8.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.894 0.378 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -176.77 -63.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -29.39 69.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.623 ' HB3' HD11 ' A' ' 29' ' ' LEU . 23.2 mm-40 -81.87 -31.62 31.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.684 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.788 HG12 HD12 ' A' ' 37' ' ' LEU . 26.1 t -72.45 -32.86 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.062 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' B' ' 61' ' ' LEU . 96.9 mt-10 -64.82 -35.41 81.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -39.23 79.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.8 HG21 ' HB2' ' A' ' 26' ' ' GLU . 40.3 mm -63.15 -39.92 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.553 HD21 ' HG ' ' A' ' 37' ' ' LEU . 21.2 mt -58.18 -34.91 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -40.24 93.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.421 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.5 ' O ' HG23 ' B' ' 67' ' ' ILE . 1.6 mt -67.77 -34.43 76.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.347 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.411 ' O ' HG13 ' B' ' 67' ' ' ILE . 1.3 tt0 -57.11 -36.0 70.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.778 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -61.47 -35.06 76.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -73.82 -39.16 64.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.958 HG22 HD22 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -71.53 -33.82 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.328 -179.574 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.457 ' N ' HG13 ' B' ' 67' ' ' ILE . 12.5 pt-20 -74.53 -41.83 59.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -65.52 -33.06 75.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.72 HD22 HG12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -72.75 -33.8 66.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.716 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.846 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.2 tt0 -67.66 -35.9 79.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.061 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -58.48 -40.89 83.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.8 ttp -73.97 -32.13 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.272 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.691 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -75.39 -35.29 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.987 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -43.36 55.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.794 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -68.8 -32.29 71.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 2.5 mt-30 -68.32 -46.64 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.725 ' HB2' HG21 ' A' ' 8' ' ' ILE . 4.6 tm-20 -69.46 -31.73 70.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.91 0.386 . . . . 0.0 110.763 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 mp -80.02 -21.6 43.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.634 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 29.6 t -77.84 -43.59 29.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.739 HD12 ' N ' ' B' ' 82' ' ' THR . 2.7 pp -63.68 -47.43 81.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.831 0.348 . . . . 0.0 110.752 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.739 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 172.08 119.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.791 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -58.05 -29.86 65.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.343 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -32.07 72.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.003 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.468 ' HB3' HG22 ' A' ' 5' ' ' VAL . 57.8 m -50.71 -25.0 3.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' ' 86' ' ' LEU . 10.7 tp -65.28 -29.61 70.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.597 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -61.1 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.274 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -29.65 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.306 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.621 HD11 HD13 ' A' ' 9' ' ' LEU . 10.4 tt -63.27 -37.27 86.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.773 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -32.09 73.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.96 -40.2 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -62.76 -49.48 74.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -44.89 94.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -31.53 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.23 80.2 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -99.87 29.61 4.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.46 109.38 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -174.69 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -136.64 43.95 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 mt 62.54 148.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -130.44 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -104.45 -55.18 2.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.004 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.902 0.382 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.87 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -29.9 71.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.855 ' HB3' HD11 ' B' ' 81' ' ' LEU . 18.4 mm-40 -78.51 -46.19 20.18 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 109.791 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.583 ' CG1' HD12 ' B' ' 89' ' ' LEU . 19.6 t -64.52 -35.7 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.946 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.42 -39.61 85.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.758 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.41 -48.75 76.3 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.154 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.657 HG21 ' HB2' ' B' ' 78' ' ' GLU . 21.1 mm -63.16 -35.37 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.349 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.64 HD13 HD11 ' B' ' 89' ' ' LEU . 1.2 tp -56.42 -44.94 80.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.11 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -42.34 95.78 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -62.4 -34.68 77.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.872 178.85 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HA ' HD12 ' A' ' 15' ' ' ILE . 2.8 tt0 -61.77 -45.95 91.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.19 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -40.36 88.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.343 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.89 -49.45 77.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.677 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.623 HG21 ' HG3' ' B' ' 71' ' ' GLN . 3.5 mt -66.1 -42.88 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.056 0.455 . . . . 0.0 110.456 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.97 -41.24 96.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.367 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -39.0 76.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.251 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.803 ' HB3' HG22 ' B' ' 67' ' ' ILE . 0.4 OUTLIER -60.45 -43.53 96.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.509 179.655 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.45 ' HG2' HD13 ' B' ' 67' ' ' ILE . 1.2 tm0? -65.87 -39.85 91.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.621 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -60.3 -41.49 93.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.567 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.8 mtm -65.27 -41.36 94.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' HG2' HG23 ' B' ' 60' ' ' ILE . 22.8 ttpp -66.24 -44.04 84.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.802 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -39.56 80.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.737 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.15 -40.55 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -63.99 -38.01 89.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.6 ' CD ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -69.84 -48.52 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.81 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.77 -31.94 71.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.729 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.49 -37.85 73.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.397 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' B' ' 56' ' ' GLN . 0.3 OUTLIER -70.88 -55.93 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.384 179.425 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -179.03 122.87 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.303 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.26 -29.22 46.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.011 0.434 . . . . 0.0 110.032 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.75 -29.12 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.729 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 36' ' ' LYS . 70.3 m -50.43 -25.04 3.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.614 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.6 HD22 ' CD ' ' A' ' 26' ' ' GLU . 3.3 mm? -58.7 -27.14 64.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.433 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -72.96 -53.72 10.51 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.675 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -65.66 -32.1 73.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.682 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.614 ' HG ' HD21 ' B' ' 61' ' ' LEU . 7.2 tt -69.1 -41.54 77.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -66.89 -50.01 63.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.65 -35.87 77.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -41.7 93.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.754 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' HD12 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -60.42 -47.8 84.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.37 -25.59 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.023 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -27.9 63.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.081 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.5 29.55 6.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -33.52 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.815 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 154.56 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -68.27 81.57 0.24 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.54 103.67 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -76.14 -64.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -175.4 -40.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -175.47 -45.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.74 -31.94 67.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.566 ' HB2' HD21 ' A' ' 29' ' ' LEU . 4.0 mt-30 -80.54 -31.79 36.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.443 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.55 HG12 HD12 ' A' ' 37' ' ' LEU . 17.3 t -68.19 -32.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.631 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.572 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.7 OUTLIER -63.54 -35.97 82.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -31.34 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.816 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.462 HG23 ' HG2' ' A' ' 22' ' ' LYS . 40.0 mm -59.62 -34.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.614 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.7 mm? -59.72 -41.08 90.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -42.22 98.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.498 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.65 -34.67 78.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -57.92 -38.92 76.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.668 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -71.13 -36.17 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.609 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.23 -40.05 96.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.572 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.803 HG22 ' HB3' ' A' ' 18' ' ' LEU . 5.7 pt -73.56 -33.61 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.788 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.545 ' N ' HG13 ' B' ' 67' ' ' ILE . 3.2 mt-10 -72.03 -42.8 65.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.57 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.62 -40.9 89.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.0 110.409 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.518 HD22 HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -72.94 -28.16 62.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.499 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.623 ' HG3' HG21 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -74.3 -31.9 62.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -44.76 92.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 7.1 ttm -68.11 -32.04 72.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.778 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.551 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -72.84 -47.05 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.007 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.33 -35.08 71.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -71.67 -32.46 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.461 ' HB3' HD11 ' A' ' 8' ' ' ILE . 37.9 mt-30 -72.69 -46.56 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.657 ' HB2' HG21 ' A' ' 8' ' ' ILE . 8.9 tm-20 -66.79 -32.86 74.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.736 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.43 -47.96 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 57.5 p -62.78 -29.48 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -64.35 -66.01 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.695 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.635 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 174.88 119.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.543 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -29.82 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.314 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.44 83.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.894 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 58.6 m -50.83 -25.6 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.646 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.583 HD13 ' CD ' ' B' ' 78' ' ' GLU . 9.5 tp -66.15 -29.15 69.39 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.444 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -52.35 60.72 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -68.1 -30.5 69.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.212 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.64 HD11 HD13 ' A' ' 9' ' ' LEU . 8.8 tt -64.56 -34.88 79.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.674 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -35.66 77.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.87 -44.37 93.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -31.67 65.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -79.28 -37.19 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -59.95 -32.35 70.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.22 61.5 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -99.85 -23.31 15.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -31.7 71.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.801 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -168.81 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.21 -47.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 75.0 mt 55.5 94.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -128.67 117.86 21.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -115.44 163.48 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.938 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.872 0.368 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -152.68 -47.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.446 ' HA ' ' HG2' ' A' ' 6' ' ' GLU . 6.0 tmtt? -70.49 -38.58 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -38.37 62.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 1.025 HG12 HD21 ' B' ' 89' ' ' LEU . 3.0 t -67.57 -44.91 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.71 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 3' ' ' LYS . 11.1 pt-20 -61.11 -39.3 89.47 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -48.93 77.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.885 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.901 HG21 ' HB2' ' B' ' 78' ' ' GLU . 2.4 mm -60.26 -37.1 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.168 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.706 ' CD1' HD13 ' B' ' 89' ' ' LEU . 0.6 OUTLIER -59.58 -40.58 87.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.149 179.511 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -46.26 90.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.773 HD23 ' CD2' ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.14 -37.48 85.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.846 178.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -59.34 -40.88 87.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.547 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -64.76 -46.72 80.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.435 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.65 -41.72 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.571 HG21 ' HG2' ' B' ' 71' ' ' GLN . 10.1 mt -67.5 -49.58 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -61.08 -34.48 74.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.369 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.26 -44.15 92.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.43 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.72 HD23 HD21 ' B' ' 63' ' ' LEU . 0.5 OUTLIER -60.15 -40.98 91.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.545 179.603 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.49 ' N ' HD12 ' B' ' 67' ' ' ILE . 2.6 tt0 -62.67 -46.09 89.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -60.29 -45.75 92.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.3 mtm -64.42 -39.44 93.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.606 ' HB2' HD22 ' B' ' 63' ' ' LEU . 22.8 ttpp -68.84 -45.4 71.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.7 -38.4 86.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.32 -32.31 72.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.543 ' HB3' HD12 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -72.29 -42.76 65.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HB2' HG21 ' B' ' 60' ' ' ILE . 4.6 tp10 -65.45 -38.21 89.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.9 mt -60.37 -30.23 69.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.737 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -54.76 -39.75 68.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.377 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.909 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.3 OUTLIER -74.41 -57.2 4.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.331 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.55 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.0 OUTLIER 167.52 125.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.085 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -25.87 26.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.86 0.362 . . . . 0.0 110.388 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.75 -31.44 71.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.55 ' OG ' HG23 ' A' ' 30' ' ' THR . 3.6 m -50.51 -25.22 3.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.57 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD23 HD22 ' A' ' 37' ' ' LEU . 9.6 mt -60.29 -27.01 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.727 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -53.07 61.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.001 0.429 . . . . 0.0 109.9 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.04 -31.65 70.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.799 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.775 HD12 HG12 ' B' ' 57' ' ' VAL . 4.3 tt -63.91 -38.94 92.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.8 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -50.6 31.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -33.86 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -47.26 61.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.854 ' HG3' HD22 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -69.46 -41.62 75.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.75 -28.83 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -59.21 -42.51 91.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.18 29.55 4.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.6 tp -96.83 146.82 24.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 60.37 36.9 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -168.81 87.55 0.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.84 -61.11 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -130.88 -46.44 1.03 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -133.7 162.77 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.488 ' O ' HG23 ' B' ' 57' ' ' VAL . 4.0 pm0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.76 0.315 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -82.81 -27.36 30.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -57.4 -33.73 68.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.909 ' HB3' HD11 ' A' ' 29' ' ' LEU . 19.6 mt-30 -81.83 -32.29 31.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.775 HG12 HD12 ' A' ' 37' ' ' LEU . 46.0 t -74.28 -32.76 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.774 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.675 ' HA ' HD12 ' B' ' 61' ' ' LEU . 15.6 mt-10 -71.01 -35.57 72.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.54 -36.39 76.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' A' ' 25' ' ' GLN . 44.0 mm -66.61 -42.23 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.048 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.854 HD22 ' HG3' ' A' ' 41' ' ' ARG . 6.3 mt -59.33 -34.33 72.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -59.43 -33.5 71.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.362 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.72 HD21 HD23 ' A' ' 18' ' ' LEU . 1.7 tt -68.38 -34.25 75.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.35 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.5 ' HA ' HG22 ' B' ' 67' ' ' ILE . 21.1 tt0 -55.89 -35.76 66.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -38.49 86.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -69.36 -49.41 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' B' ' 64' ' ' GLU . 7.8 tt -66.0 -34.02 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.64 -39.54 94.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -66.61 -41.0 89.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.787 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.773 ' CD2' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.79 -29.39 63.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.571 ' HG2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -72.08 -40.24 68.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -43.06 99.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 22.7 ttm -67.41 -32.08 72.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.553 ' HE3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -70.64 -47.91 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.98 -36.26 81.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.082 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -70.22 -32.73 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -73.95 -46.75 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.901 ' HB2' HG21 ' A' ' 8' ' ' ILE . 10.1 tm-20 -68.23 -31.36 70.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.786 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tt -78.16 -21.37 50.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.4 t -79.51 -46.93 16.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.684 HD12 ' N ' ' B' ' 82' ' ' THR . 1.8 pp -63.96 -55.13 24.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.684 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.2 OUTLIER 177.12 119.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -26.83 62.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.736 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.22 -33.17 74.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 19.5 m -50.7 -25.11 3.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.614 HD12 HD12 ' B' ' 89' ' ' LEU . 7.8 tp -65.56 -29.17 69.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.712 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -72.59 -35.85 68.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.762 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.25 -30.53 68.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.777 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 1.025 HD21 HG12 ' A' ' 5' ' ' VAL . 52.2 mt -62.7 -33.54 75.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -61.82 -52.22 65.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -31.29 72.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -39.29 33.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -76.35 -41.45 48.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -64.55 -43.11 94.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -78.08 62.65 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -103.42 29.53 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 tp -83.97 179.5 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 23.9 ptt85 -64.76 94.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.91 -56.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.9 tt -124.51 116.42 22.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.78 147.76 7.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -122.56 -58.34 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.929 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.815 0.34 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -76.29 -35.06 59.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -28.29 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.808 ' O ' HD13 ' A' ' 8' ' ' ILE . 22.1 mm-40 -78.35 -38.61 41.6 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.087 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.882 HG13 HD12 ' B' ' 89' ' ' LEU . 38.8 t -70.58 -33.08 51.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.078 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.36 -53.59 34.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.162 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.84 -32.44 70.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.155 0.502 . . . . 0.0 110.1 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.808 HD13 ' O ' ' A' ' 4' ' ' GLN . 1.3 mp -65.79 -48.04 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.25 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.539 HD11 ' HG ' ' B' ' 89' ' ' LEU . 1.1 mp -57.22 -40.67 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -48.55 81.26 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.197 0.522 . . . . 0.0 109.759 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.635 HD21 HD23 ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.14 -34.41 76.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.662 178.849 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.7 OUTLIER -57.96 -44.05 86.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.03 179.13 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.21 -43.72 98.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.955 179.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -44.45 83.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.376 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.541 HD13 ' HE3' ' B' ' 74' ' ' LYS . 5.0 mt -71.53 -38.02 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.691 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.15 -36.0 81.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.42 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -42.0 74.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.663 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.501 HD23 HD21 ' B' ' 63' ' ' LEU . 0.4 OUTLIER -71.0 -40.66 71.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.773 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -68.31 -34.51 76.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -68.62 -45.87 70.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.1 ptp -63.35 -37.48 87.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -64.02 -46.62 83.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.2 -39.69 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -37.69 78.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -66.61 -41.12 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.745 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.49 -45.01 77.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.7 -38.23 87.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.691 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -57.71 -32.72 67.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.659 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.868 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -73.9 -56.76 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.442 179.683 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 177.51 121.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.341 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.52 -29.31 50.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.949 0.404 . . . . 0.0 110.172 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.19 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.845 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.0 m -50.59 -25.04 3.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.606 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.745 HD22 ' OE2' ' A' ' 26' ' ' GLU . 1.4 mm? -58.5 -28.17 65.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.424 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -46.57 71.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.604 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -36.9 76.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.64 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.696 ' HG ' HD21 ' B' ' 61' ' ' LEU . 1.4 tt -66.61 -37.74 85.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.844 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -40.61 69.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.48 -36.01 81.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -79.28 -31.05 43.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -80.17 -37.78 32.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -67.63 -38.74 84.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.02 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.45 -31.35 70.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -23.23 48.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -89.35 -30.62 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 171.78 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -160.48 87.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.46 -179.19 6.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.16 153.07 20.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -155.5 144.34 20.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.747 0.308 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -130.98 -45.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -36.24 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.868 ' HB3' HD11 ' A' ' 29' ' ' LEU . 11.2 mm-40 -81.12 -32.63 33.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.553 ' CG1' HD12 ' A' ' 37' ' ' LEU . 26.3 t -74.0 -32.81 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.774 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.57 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.5 OUTLIER -62.92 -36.32 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.76 179.733 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.68 -31.63 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mm -60.94 -33.52 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.776 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.696 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.8 mm? -61.29 -45.4 94.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.679 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.42 96.95 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.689 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.501 HD21 HD23 ' A' ' 18' ' ' LEU . 1.4 tt -62.34 -34.56 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' B' ' 67' ' ' ILE . 1.1 tm-20 -58.72 -35.93 73.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.854 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -48.44 80.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -49.21 78.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.645 HD13 ' O ' ' B' ' 67' ' ' ILE . 0.0 OUTLIER -67.69 -34.49 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.1 -34.48 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.682 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -62.37 -50.02 73.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.719 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.635 HD23 HD21 ' A' ' 11' ' ' LEU . 1.4 mt -64.17 -39.51 94.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.696 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -39.49 94.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -47.61 81.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 4.1 ptp -67.1 -32.14 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.479 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.541 ' HE3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -65.89 -49.92 66.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.506 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.12 -48.83 77.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.08 -32.06 73.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.542 ' HB3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -63.68 -46.75 84.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.708 -179.599 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.517 ' HG2' HG21 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -74.12 -36.45 64.2 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.597 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.779 ' O ' HD23 ' B' ' 79' ' ' LEU . 3.6 tt -74.32 -17.5 60.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m -81.12 -46.54 14.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.2 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.632 HD12 ' N ' ' B' ' 82' ' ' THR . 1.2 pp -65.83 -58.07 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.963 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.685 HG23 ' H ' ' B' ' 85' ' ' SER . 7.1 t 179.04 121.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.865 0.364 . . . . 0.0 110.775 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.78 -25.61 29.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.07 -30.78 70.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.599 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.685 ' H ' HG23 ' B' ' 82' ' ' THR . 0.6 OUTLIER -50.57 -25.36 4.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.948 0.404 . . . . 0.0 110.497 179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.59 -29.19 64.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.401 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -70.34 -61.64 1.69 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.421 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -62.45 -30.41 71.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.405 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.882 HD12 HG13 ' A' ' 5' ' ' VAL . 9.9 tt -65.05 -36.44 84.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.895 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -30.86 70.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -33.08 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -77.01 -31.84 56.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.28 -38.08 31.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.51 -28.74 68.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.991 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -63.45 -17.3 62.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.288 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -55.61 -23.27 26.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.774 0.321 . . . . 0.0 111.196 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.607 HD12 ' HD3' ' B' ' 99' ' ' ARG . 3.7 mm? -89.45 172.38 9.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -159.63 39.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.01 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.607 ' HD3' HD12 ' B' ' 97' ' ' LEU . 0.0 OUTLIER -138.12 166.83 23.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.1 mp -141.97 -48.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.92 93.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.54 90.65 3.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.789 0.328 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -116.93 -19.82 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.364 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -64.02 -31.41 72.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.76 0.314 . . . . 0.0 111.169 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.901 ' HB3' HD11 ' B' ' 81' ' ' LEU . 2.7 mt-30 -79.99 -44.27 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.078 0.466 . . . . 0.0 110.039 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.785 HG12 HD12 ' B' ' 89' ' ' LEU . 6.6 t -65.82 -35.31 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.096 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.35 -40.05 74.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.008 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -56.3 -46.75 79.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.341 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.636 HG21 ' HG2' ' B' ' 78' ' ' GLU . 6.0 mm -64.32 -40.34 88.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.464 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.923 HD13 HD11 ' B' ' 89' ' ' LEU . 1.0 OUTLIER -56.28 -44.82 80.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.881 179.433 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -41.33 94.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -62.62 -37.12 85.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.373 178.645 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' O ' HG12 ' A' ' 15' ' ' ILE . 2.9 tt0 -57.88 -42.65 85.04 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.854 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -32.99 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.586 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.72 -47.16 64.1 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.796 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.807 HG22 HD22 ' B' ' 70' ' ' LEU . 12.8 pt -67.71 -35.68 73.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.959 0.409 . . . . 0.0 110.537 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -45.49 71.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -40.49 94.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.249 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.916 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -69.64 -36.35 76.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.39 179.593 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HG3' HG21 ' B' ' 67' ' ' ILE . 1.5 tt0 -73.02 -36.13 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.643 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -66.89 -37.63 84.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.616 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.4 ptp -73.75 -33.19 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.425 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HB2' HD22 ' B' ' 63' ' ' LEU . 25.4 ttpp -72.47 -46.62 54.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.731 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -38.06 85.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.765 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -66.87 -37.89 85.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HB3' HD12 ' B' ' 60' ' ' ILE . 9.3 tt0 -66.15 -45.43 81.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.654 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.764 ' HB2' HG21 ' B' ' 60' ' ' ILE . 14.1 tt0 -68.55 -45.41 72.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.77 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.47 -32.6 74.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.52 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -59.53 -39.23 83.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.467 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 30' ' ' THR . 0.3 OUTLIER -66.67 -49.04 67.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.417 179.508 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 173.8 121.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.348 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -54.6 -28.77 48.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.964 0.411 . . . . 0.0 110.097 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.5 -28.99 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.813 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.5 m -50.31 -24.98 3.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.744 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 34' ' ' LEU . 2.4 mm? -59.88 -29.22 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.368 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -52.75 15.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.484 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -64.36 -37.02 86.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.757 HD11 HD13 ' B' ' 61' ' ' LEU . 1.7 tt -65.38 -40.58 93.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -50.9 70.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -62.68 -36.55 83.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.808 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -65.24 -31.72 73.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.811 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.752 ' HG2' HD21 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -59.24 -44.8 92.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.1 -25.23 51.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -26.18 55.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -23.27 37.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.01 148.73 34.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -111.41 164.56 12.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.69 121.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp -103.16 -43.99 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.812 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -94.39 155.56 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 60.79 156.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.83 ' O ' HG23 ' B' ' 57' ' ' VAL . 1.2 tp10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.829 0.347 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -76.95 -29.11 55.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -38.49 80.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.601 ' HB3' HD11 ' A' ' 29' ' ' LEU . 2.5 mt-30 -80.14 -29.2 38.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.46 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.83 HG23 ' O ' ' B' ' 53' ' ' GLU . 46.2 t -74.43 -32.83 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.793 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.18 -32.63 73.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.777 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.31 -31.55 72.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.764 HG21 ' HB2' ' A' ' 26' ' ' GLU . 22.9 mm -65.08 -40.67 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.757 HD13 HD11 ' A' ' 37' ' ' LEU . 1.4 tp -58.9 -44.84 91.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -61.5 -34.8 76.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 110.27 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.593 HD23 HD11 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -70.56 -34.5 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.329 179.395 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -57.3 -35.97 70.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.61 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -55.55 -35.01 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.59 -37.08 65.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.712 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.916 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.1 mm -76.14 -33.94 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.324 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.34 -43.07 74.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.486 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.49 -33.04 72.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.428 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.807 HD22 HG22 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -71.49 -43.16 67.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.433 179.589 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.529 ' HG3' HD12 ' A' ' 15' ' ' ILE . 1.7 mt-30 -62.4 -44.14 97.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.811 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -47.47 86.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.798 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 1.7 tpp -65.16 -32.01 73.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.332 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.646 ' HE3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -68.02 -52.42 35.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.833 179.767 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.66 -40.65 95.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.779 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -63.19 -32.28 73.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.27 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -46.72 54.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.325 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.636 ' HG2' HG21 ' A' ' 8' ' ' ILE . 8.2 mm-40 -69.53 -29.31 66.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.893 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.72 -44.03 64.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.525 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -67.05 -27.64 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.631 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.901 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -68.91 -69.57 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.757 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.677 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER 176.99 120.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.593 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.71 -28.67 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.43 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.41 74.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.95 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 74.8 m -50.54 -25.3 3.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.782 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' B' ' 86' ' ' LEU . 13.5 mt -64.72 -30.32 71.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.562 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.36 -56.79 12.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.375 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.84 -28.7 67.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.41 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.923 HD11 HD13 ' A' ' 9' ' ' LEU . 8.3 tt -70.54 -34.11 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -34.01 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.71 -43.1 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -41.37 95.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -80.35 -22.5 41.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.657 ' O ' HD23 ' B' ' 97' ' ' LEU . 16.3 t0 -73.97 -30.61 62.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.102 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -14.29 62.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.484 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.15 -23.25 67.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.669 0.271 . . . . 0.0 111.346 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.657 HD23 ' O ' ' B' ' 94' ' ' ASP . 3.2 pp -62.85 -36.14 82.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -177.52 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -69.45 162.82 26.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 6.7 mt -62.49 104.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -103.2 174.25 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.09 166.43 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.787 0.327 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -173.99 -44.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -38.77 91.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -74.47 -39.23 62.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.831 ' CG1' HD12 ' B' ' 89' ' ' LEU . 3.2 t -66.08 -37.3 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.069 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.74 -42.65 95.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.006 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -48.07 78.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.388 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.844 HG21 ' HB2' ' B' ' 78' ' ' GLU . 3.1 mm -60.92 -35.02 61.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.532 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.614 HD13 HD11 ' B' ' 89' ' ' LEU . 0.6 OUTLIER -60.48 -42.65 96.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.238 179.616 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -49.07 78.96 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -62.35 -34.38 76.55 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.541 178.596 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.03 -44.17 97.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.06 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -59.33 -44.11 92.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -48.09 78.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.627 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.603 HG13 HD22 ' B' ' 70' ' ' LEU . 3.5 mt -69.17 -36.44 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.404 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -41.33 98.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.7 -32.47 71.07 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.054 0.454 . . . . 0.0 109.925 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.52 HD12 ' HB ' ' B' ' 67' ' ' ILE . 0.1 OUTLIER -62.38 -50.54 71.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.532 179.413 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.71 -44.67 92.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -36.16 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.546 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.1 mtm -73.44 -34.31 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.49 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -68.13 -44.64 75.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.842 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 27' ' ' LEU . 26.5 mt-10 -67.87 -39.88 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -35.41 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.474 ' HB3' HD11 ' B' ' 60' ' ' ILE . 27.0 mt-30 -72.86 -43.66 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.726 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.26 -36.25 83.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.623 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 23' ' ' GLU . 4.2 mm? -77.76 -18.92 55.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -78.72 -46.03 19.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.968 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.636 ' O ' HG23 ' A' ' 30' ' ' THR . 1.0 OUTLIER -64.19 -44.3 92.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 0.0 110.517 179.824 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 175.63 119.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.688 179.609 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HG2' ' CD1' ' A' ' 27' ' ' LEU . 2.6 mt-10 -56.86 -29.81 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.018 0.437 . . . . 0.0 110.235 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.69 69.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.41 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.495 ' CB ' HG22 ' B' ' 57' ' ' VAL . 4.8 m -50.43 -25.15 3.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.914 0.388 . . . . 0.0 110.677 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.726 HD22 ' OE2' ' A' ' 26' ' ' GLU . 2.8 mm? -60.31 -30.81 69.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.596 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -68.27 -56.2 9.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.566 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -63.56 -33.02 74.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.422 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.762 ' CG ' HD21 ' B' ' 61' ' ' LEU . 10.3 tt -67.07 -44.49 79.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.849 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -69.29 -33.51 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.788 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -75.57 -31.12 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -71.14 -41.71 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -79.34 -31.32 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -77.62 -23.47 49.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -48.04 79.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.17 -23.24 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.1 43.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.68 140.6 20.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.788 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.94 167.12 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.1 -75.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.8 131.84 49.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -86.39 148.51 25.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.469 ' O ' HG23 ' B' ' 57' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -55.89 -32.8 64.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -65.22 -28.97 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.565 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -81.94 -29.98 31.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.776 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.547 ' CG1' HD12 ' A' ' 37' ' ' LEU . 5.8 t -73.86 -35.16 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.993 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.74 -34.95 76.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.64 -33.43 74.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.656 HG21 ' HB2' ' A' ' 26' ' ' GLU . 33.1 mm -70.67 -46.23 70.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.762 HD21 ' CG ' ' A' ' 37' ' ' LEU . 29.3 mt -58.17 -31.35 67.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -35.1 74.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.253 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mt -65.93 -34.1 77.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.452 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.436 ' HA ' HG22 ' B' ' 67' ' ' ILE . 4.3 tt0 -55.86 -35.82 66.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.76 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -36.61 83.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.06 -49.34 52.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.72 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.52 ' HB ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -68.09 -34.08 64.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.33 -42.16 65.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.1 -36.89 80.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.603 HD22 HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -72.75 -27.87 62.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.827 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -73.61 -28.6 61.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -65.47 -43.13 91.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -32.13 68.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.077 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.581 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -72.03 -38.71 69.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -71.14 -44.29 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -65.62 -32.24 73.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.477 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -68.52 -46.71 68.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.844 ' HB2' HG21 ' A' ' 8' ' ' ILE . 1.3 tt0 -69.66 -29.04 66.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.791 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.85 -21.19 44.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.746 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 -43.33 33.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.006 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.679 HD12 ' N ' ' B' ' 82' ' ' THR . 2.6 pp -64.99 -46.69 80.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.679 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 174.79 119.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.749 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.48 -30.29 64.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.286 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -29.55 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.019 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.632 ' OG ' HD11 ' B' ' 81' ' ' LEU . 54.0 p -50.53 -25.2 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.744 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.775 HD22 ' OE2' ' B' ' 78' ' ' GLU . 1.4 mm? -61.85 -30.08 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.64 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -50.22 59.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.56 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -69.26 -30.44 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.42 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.831 HD12 ' CG1' ' A' ' 5' ' ' VAL . 3.4 tt -67.37 -34.79 78.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.959 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -71.67 -30.38 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -69.3 -45.48 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -30.64 71.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -73.34 -30.76 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.84 -41.15 83.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.005 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -77.81 -6.99 55.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.404 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -76.77 -23.14 52.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.734 0.302 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -85.39 -55.05 4.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.831 0.348 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.11 168.85 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.23 108.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.48 -50.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.85 -173.93 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.35 171.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.894 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.707 0.289 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -173.69 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.91 -32.78 71.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -76.91 -44.28 32.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.039 0.447 . . . . 0.0 109.812 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' B' ' 85' ' ' SER . 6.2 t -66.22 -37.51 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.186 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.8 -43.14 97.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.916 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -46.44 84.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.37 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.595 HG21 ' CG ' ' B' ' 78' ' ' GLU . 2.2 mm -61.05 -40.03 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.527 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.09 -41.65 79.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.326 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -44.08 97.13 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -62.25 -34.61 76.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.663 179.009 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -62.33 -38.97 91.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.84 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -33.31 75.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.07 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.39 -41.23 69.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.703 HD13 ' HA ' ' B' ' 71' ' ' GLN . 12.2 mt -71.18 -47.74 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.68 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -34.41 77.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.579 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.35 -42.24 83.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.472 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.477 ' CD2' HD23 ' B' ' 63' ' ' LEU . 0.2 OUTLIER -63.35 -39.84 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.458 179.623 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -46.03 92.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.583 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -58.8 -42.36 88.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.632 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 tpp -64.4 -32.42 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -52.4 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.669 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.77 -30.6 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.656 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 0.8 OUTLIER -72.92 -35.66 67.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -73.3 -38.33 65.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.775 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -38.43 64.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.797 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.3 mt -66.7 -31.84 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.771 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -58.94 -40.51 84.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.602 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -70.31 -60.69 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.536 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.533 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.1 t 173.62 126.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.445 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -54.62 -25.78 28.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.985 0.422 . . . . 0.0 110.309 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.48 75.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.17 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.559 ' HB3' HG21 ' B' ' 57' ' ' VAL . 3.7 m -50.51 -25.29 3.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.718 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.18 -26.76 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.561 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -58.63 -53.7 55.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.396 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -68.97 -31.59 70.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.332 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.703 HD12 HG12 ' B' ' 57' ' ' VAL . 8.5 tt -67.89 -35.64 78.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.65 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.17 -44.99 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.771 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.49 -31.58 69.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -43.93 57.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 -67.62 -43.05 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -64.15 -36.46 84.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -76.14 -31.86 58.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -80.61 -23.31 39.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.17 31.17 6.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.61 170.06 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.773 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -129.13 130.96 47.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 51' ' ' GLU . 3.1 pp -172.61 -178.67 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.66 127.23 17.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 65.48 -75.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.55 ' HB2' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.775 0.321 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -110.87 -19.78 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -59.09 -43.03 91.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 111.063 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.602 ' HB3' HD11 ' A' ' 29' ' ' LEU . 7.7 mt-30 -78.73 -30.19 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.343 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.703 HG12 HD12 ' A' ' 37' ' ' LEU . 26.2 t -74.2 -32.73 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.753 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.454 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -60.8 -38.15 84.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.682 179.766 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -29.52 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.727 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.64 -36.12 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.553 HD11 ' HG ' ' A' ' 37' ' ' LEU . 3.6 mm? -63.65 -34.2 77.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -63.79 -40.03 95.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -62.36 -34.52 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.406 ' HA ' HG22 ' B' ' 67' ' ' ILE . 63.6 tt0 -56.68 -47.26 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -35.11 75.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -49.51 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.572 HD13 ' O ' ' B' ' 67' ' ' ILE . 0.0 OUTLIER -68.29 -34.62 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.18 -42.33 75.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.573 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.59 -38.79 77.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.638 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.402 ' CD2' ' CD2' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -64.83 -29.72 70.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.694 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.703 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -72.57 -37.24 68.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -59.37 -42.11 90.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.8 ttm -63.87 -32.04 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.737 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.406 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.31 -52.38 54.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.06 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.55 -39.84 77.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -70.82 -32.35 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.691 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.47 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -73.68 -46.7 44.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.743 ' OE2' HD22 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -73.21 -32.67 64.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.732 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.6 tt -80.36 -17.96 50.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -82.11 -42.11 19.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.727 HD11 ' OE1' ' B' ' 78' ' ' GLU . 2.1 pp -66.51 -49.21 67.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.723 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.699 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER 179.81 119.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 179.738 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.73 -29.09 66.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.437 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.39 -30.71 70.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.154 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.473 ' HB3' HG22 ' A' ' 5' ' ' VAL . 48.3 m -50.65 -25.19 3.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.743 HD22 ' OE2' ' B' ' 78' ' ' GLU . 2.7 mm? -61.11 -30.78 70.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.42 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.49 -55.31 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.289 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -65.55 -31.16 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.238 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.589 ' O ' HD23 ' B' ' 89' ' ' LEU . 8.3 tt -63.14 -38.13 89.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.619 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -71.75 -42.73 66.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.53 -44.22 94.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.761 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -38.77 77.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.75 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -69.95 -53.88 15.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.32 -51.08 71.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -79.28 60.98 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.06 -23.21 22.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.048 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.51 176.55 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.74 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 61.39 -164.67 0.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.696 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.496 ' HB3' HD12 ' B' ' 100' ' ' LEU . 2.2 ttt-85 64.1 -178.2 0.16 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.496 HD12 ' HB3' ' B' ' 99' ' ' ARG . 2.5 mp 60.77 156.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 60.18 91.1 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -164.62 91.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.844 0.354 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -123.91 -1.5 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.586 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -69.52 -46.31 66.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.746 0.308 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.794 ' HB2' HD11 ' B' ' 81' ' ' LEU . 6.1 mm-40 -73.99 -38.94 63.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.922 HG12 HD21 ' B' ' 89' ' ' LEU . 2.3 t -65.19 -42.21 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.912 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -38.16 88.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.689 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.22 -45.38 87.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.108 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' B' ' 78' ' ' GLU . 5.4 mm -61.18 -38.91 80.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.509 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.836 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -56.37 -48.83 76.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.477 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -44.51 94.92 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.553 HD21 HD23 ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.43 -34.6 77.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.864 179.039 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.34 -44.48 96.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.189 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -60.16 -42.75 95.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.545 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.2 -49.3 78.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.419 HD11 ' HB2' ' B' ' 74' ' ' LYS . 5.3 mt -65.22 -44.3 95.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.602 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.47 -37.12 74.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.631 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.71 -41.93 74.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.574 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -67.3 -36.38 81.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.719 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -65.85 -46.49 78.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.654 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -34.37 75.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.4 tpp -67.61 -41.77 83.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -65.7 -48.93 70.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.738 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -63.66 -40.55 97.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.696 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -65.42 -32.48 74.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -72.0 -46.56 56.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.662 ' OE2' HG22 ' B' ' 57' ' ' VAL . 1.1 tm-20 -60.54 -34.53 74.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.498 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -22.71 57.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.615 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 t -74.6 -48.08 28.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 30' ' ' THR . 1.5 pp -67.0 -46.36 74.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.836 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 174.62 119.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.827 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.75 -34.92 71.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.182 0.515 . . . . 0.0 109.659 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.55 74.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.732 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.418 ' CB ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -50.62 -25.2 3.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.739 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.07 -26.2 68.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.652 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -55.69 -55.57 30.68 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.909 0.385 . . . . 0.0 110.575 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -64.44 -30.17 71.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.332 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.64 ' HG ' HD11 ' B' ' 61' ' ' LEU . 10.0 tt -64.51 -43.29 94.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.58 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -67.34 -39.14 85.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.599 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -72.82 -31.44 64.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.676 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 tpt85 -68.28 -39.43 82.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.773 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -61.67 -42.53 99.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.22 -47.9 83.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -65.5 -30.93 71.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -23.2 33.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.81 117.96 30.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.56 174.26 11.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.02 -46.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 pp -77.5 133.82 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -117.15 179.01 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.988 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -40.67 85.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -70.28 -33.2 71.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.3 -27.92 68.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -80.28 -30.79 38.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.725 HG12 ' CD2' ' B' ' 61' ' ' LEU . 20.1 t -70.26 -38.91 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.78 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.54 -33.59 60.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -28.65 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.402 HG21 ' HG2' ' A' ' 26' ' ' GLU . 27.1 mm -76.7 -35.92 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.725 ' CD2' HG12 ' B' ' 57' ' ' VAL . 3.1 mm? -62.57 -36.56 83.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.59 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -61.3 -35.07 76.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.653 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.53 -34.73 76.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' B' ' 67' ' ' ILE . 1.5 tm-20 -58.53 -35.86 72.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -37.53 78.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.682 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -69.6 -49.26 55.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.45 HD12 ' HB3' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -60.94 -34.03 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -48.89 78.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.48 -38.8 90.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.553 HD23 HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.79 -35.94 67.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.799 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.46 -36.23 65.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -66.96 -40.69 87.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 18.4 ttm -66.91 -31.97 72.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.419 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -70.78 -50.95 30.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.101 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.471 ' OE2' HD11 ' B' ' 79' ' ' LEU . 3.7 tt0 -67.59 -32.09 72.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -71.92 -33.09 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.08 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.427 ' HB3' HD12 ' A' ' 8' ' ' ILE . 9.1 tt0 -74.03 -46.81 41.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.135 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' ' 8' ' ' ILE . 1.7 tp10 -70.04 -29.1 66.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.717 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.471 HD11 ' OE2' ' B' ' 75' ' ' GLU . 7.6 mt -68.46 -40.92 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.746 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -65.07 -31.13 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.718 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.794 HD11 ' HB2' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -72.32 -70.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.817 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.739 HG23 ' HB2' ' B' ' 85' ' ' SER . 2.0 t 176.57 125.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.662 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -54.67 -26.48 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.362 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.49 -31.99 72.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.848 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.739 ' HB2' HG23 ' B' ' 82' ' ' THR . 0.2 OUTLIER -50.54 -25.16 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.744 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.48 HD23 HD12 ' B' ' 89' ' ' LEU . 35.1 mt -62.22 -28.41 69.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.587 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -43.19 78.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.547 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -62.82 -27.34 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.723 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.922 HD21 HG12 ' A' ' 5' ' ' VAL . 34.7 mt -61.2 -43.15 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.69 -53.9 52.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.02 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.25 -35.42 75.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -71.7 -47.63 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -21.68 61.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.225 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.34 -25.46 34.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.221 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -79.34 54.59 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.197 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -107.65 -23.28 12.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.93 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -169.34 0.93 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.93 103.74 13.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -123.44 -175.95 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -77.12 122.73 25.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -60.52 138.12 58.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.3 31.31 20.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.925 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.926 0.393 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -107.89 -26.38 10.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -60.3 -28.1 67.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.912 ' HB3' HD11 ' B' ' 81' ' ' LEU . 42.3 mt-30 -80.1 -44.88 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.098 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.457 ' O ' HD13 ' A' ' 9' ' ' LEU . 21.3 t -66.67 -33.95 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.279 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -68.76 -46.55 68.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.227 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.29 -36.37 73.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.235 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.816 HD11 ' CB ' ' B' ' 77' ' ' GLN . 11.5 mm -65.16 -45.03 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.571 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.809 HD11 ' CG ' ' B' ' 89' ' ' LEU . 5.8 mp -56.16 -45.88 79.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.521 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -59.94 -42.29 93.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.448 HD23 ' CD2' ' B' ' 70' ' ' LEU . 0.1 OUTLIER -63.58 -38.72 92.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.614 178.713 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.88 -39.3 74.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.035 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -65.65 -43.94 87.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.906 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.62 -43.26 99.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.398 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.683 HD12 ' HD3' ' B' ' 74' ' ' LYS . 24.3 mt -66.11 -51.48 59.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -34.52 71.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.57 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.71 -38.25 83.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.658 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.72 -50.39 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.656 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.53 -37.72 82.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.625 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -59.45 -47.35 85.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 43.7 mtm -63.69 -32.15 73.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -62.75 -49.48 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.11 -38.92 92.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -66.23 -33.15 75.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.659 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.84 -46.13 46.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.852 ' OE2' HD13 ' A' ' 37' ' ' LEU . 3.8 tt0 -63.04 -31.63 72.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.725 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -22.35 44.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.499 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -45.51 47.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 30' ' ' THR . 1.0 OUTLIER -65.23 -45.41 84.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.358 . . . . 0.0 110.615 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 174.43 119.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.7 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.75 -28.82 61.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.78 70.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.2 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.458 ' OG ' HG22 ' B' ' 57' ' ' VAL . 27.3 m -50.59 -25.1 3.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.588 HD22 ' OE2' ' A' ' 26' ' ' GLU . 4.2 mm? -63.49 -29.31 70.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.652 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -61.73 1.69 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -31.75 71.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.543 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.852 HD13 ' OE2' ' A' ' 26' ' ' GLU . 7.6 tt -63.79 -40.46 96.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.524 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -41.01 84.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.764 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -37.51 77.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.4 ttt-85 -65.65 -42.17 91.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -34.52 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.15 -32.21 44.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -59.8 -29.38 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -96.86 24.16 6.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tp -117.7 100.03 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 61.27 102.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.76 109.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.75 142.55 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -97.36 104.89 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.22 158.27 37.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.537 ' O ' HG23 ' B' ' 57' ' ' VAL . 13.1 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.779 0.323 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -51.38 -30.53 19.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -31.81 72.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.727 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.41 ' O ' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -81.85 -30.87 31.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.717 179.725 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 37' ' ' LEU . 2.6 t -75.93 -33.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -38.22 86.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.774 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -33.17 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.662 HG21 ' HB2' ' A' ' 26' ' ' GLU . 33.0 mm -70.66 -44.73 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.743 HD13 HD11 ' A' ' 37' ' ' LEU . 1.7 tp -61.27 -39.42 90.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.74 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -40.13 93.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.465 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.61 -34.31 76.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.679 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' B' ' 67' ' ' ILE . 73.4 tt0 -55.92 -35.88 67.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -36.2 81.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.81 -49.6 44.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -67.55 -34.12 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.513 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -63.7 -43.67 95.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.81 -32.38 72.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.347 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.66 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -72.11 -40.29 68.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.471 179.673 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.679 ' HA ' HD13 ' A' ' 15' ' ' ILE . 23.6 tt0 -68.92 -46.62 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.795 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -34.25 74.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 16.4 ttt -69.79 -42.67 73.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.738 ' HG2' HG23 ' A' ' 8' ' ' ILE . 1.6 ttpp -69.05 -43.28 75.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.51 -30.46 71.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -33.49 66.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.037 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.816 ' CB ' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.9 -46.64 62.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -64.55 -40.17 95.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.631 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -47.19 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.553 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -61.88 -32.53 72.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.333 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.912 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -61.64 -63.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.577 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.837 HG23 ' HB2' ' B' ' 85' ' ' SER . 1.4 t 170.62 123.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.331 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -54.3 -27.54 36.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.422 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.58 -36.69 81.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.895 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.837 ' HB2' HG23 ' B' ' 82' ' ' THR . 0.3 OUTLIER -50.59 -25.16 3.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.644 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.673 HD12 HD13 ' B' ' 89' ' ' LEU . 3.6 tp -63.34 -29.38 70.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.427 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -53.82 48.4 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -63.23 -27.73 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.809 ' CG ' HD11 ' A' ' 9' ' ' LEU . 3.6 tt -60.87 -47.42 86.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.904 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -51.93 67.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.12 -35.44 69.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.026 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -79.48 -37.63 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -42.91 65.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -26.72 41.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.975 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.35 63.38 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -106.11 16.75 24.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.94 29.84 7.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.876 0.369 . . . . 0.0 110.759 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.12 87.98 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -66.94 160.35 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' B' ' 100' ' ' LEU . 8.3 tp -79.66 91.71 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -68.26 84.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -95.72 145.25 25.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.902 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.87 0.367 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -173.5 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -30.24 71.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.876 ' HB3' HD11 ' B' ' 81' ' ' LEU . 0.8 OUTLIER -78.55 -45.61 21.42 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.658 ' CG1' HD12 ' B' ' 89' ' ' LEU . 23.2 t -65.99 -35.15 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.83 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -65.21 -43.11 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.655 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.98 -42.28 79.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.918 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.673 HG21 ' HB2' ' B' ' 78' ' ' GLU . 45.9 mm -60.67 -42.32 91.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.19 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.495 HD11 HD21 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -60.61 -47.94 83.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.327 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -63.16 -44.1 96.43 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.556 HD21 ' CD2' ' B' ' 70' ' ' LEU . 0.9 OUTLIER -63.05 -34.34 77.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.758 178.871 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.475 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -60.66 -43.89 97.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.995 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -63.24 -37.58 87.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.673 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.57 -47.26 84.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.905 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.685 ' CG1' HD22 ' B' ' 70' ' ' LEU . 13.0 mt -64.32 -50.99 73.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.367 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -58.57 -34.44 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.377 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.73 -46.27 90.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.281 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.674 HD23 HD21 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -61.65 -35.89 79.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.392 179.445 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -54.44 21.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -61.81 -37.48 84.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mtm -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.566 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HG3' HG23 ' B' ' 60' ' ' ILE . 6.5 ttpm? -67.11 -49.04 66.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.45 -37.71 88.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.745 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -43.1 80.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.652 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.436 ' HB3' HD12 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -65.68 -45.09 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.674 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.726 ' OE2' HD22 ' A' ' 34' ' ' LEU . 4.2 tt0 -69.85 -43.23 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.587 HD11 ' HG2' ' A' ' 31' ' ' GLU . 4.7 tp -63.99 -28.95 70.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -45.08 92.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.526 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -62.34 -51.5 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.369 179.468 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.612 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.1 t 171.22 124.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.313 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.587 ' HG2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -54.47 -25.77 27.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.353 179.73 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.98 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.067 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.612 ' OG ' HG23 ' A' ' 30' ' ' THR . 6.0 m -50.44 -24.99 3.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.726 HD22 ' OE2' ' A' ' 26' ' ' GLU . 3.3 mm? -58.35 -29.37 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.474 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -46.18 51.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.304 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -38.77 72.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.381 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.776 ' CD2' HD21 ' B' ' 61' ' ' LEU . 9.7 tt -68.09 -36.05 79.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.913 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -66.5 -50.63 62.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -62.8 -31.63 72.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.27 -31.81 43.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -69.65 -32.58 71.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -65.04 -34.35 78.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -54.25 33.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.29 -23.28 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.049 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.73 98.87 8.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.956 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -169.1 42.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 61.48 112.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mp -90.68 -31.51 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.63 142.79 51.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -131.94 -65.69 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -81.82 -22.87 36.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -33.07 59.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.83 0.348 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.808 ' HB3' HD11 ' A' ' 29' ' ' LEU . 5.7 mm-40 -81.92 -32.16 31.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.51 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.624 HG12 HD12 ' A' ' 37' ' ' LEU . 40.8 t -73.95 -32.88 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.791 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -63.09 -38.41 91.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.68 -31.84 71.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.683 HG21 ' HB2' ' A' ' 26' ' ' GLU . 41.3 mm -69.01 -42.11 81.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.776 HD21 ' CD2' ' A' ' 37' ' ' LEU . 24.9 mt -57.28 -38.99 74.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -33.72 76.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.966 0.412 . . . . 0.0 110.227 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.674 HD21 HD23 ' A' ' 18' ' ' LEU . 7.8 tt -70.16 -34.52 73.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.409 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.412 ' O ' HG22 ' B' ' 67' ' ' ILE . 5.0 tt0 -57.15 -35.85 70.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.796 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -70.72 -31.2 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.779 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -44.57 55.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.745 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.439 HD13 ' O ' ' B' ' 67' ' ' ILE . 0.0 OUTLIER -67.41 -41.98 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' B' ' 65' ' ' LYS . 16.4 pt-20 -64.96 -40.18 94.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.842 0.353 . . . . 0.0 110.586 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.75 -32.52 71.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.685 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -71.31 -35.27 71.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.632 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.685 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -75.92 -37.03 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.767 179.636 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -67.06 -36.45 82.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 23.4 ptm -73.96 -33.26 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.561 ' HD3' HD12 ' A' ' 15' ' ' ILE . 2.6 ttpp -72.78 -42.97 63.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.49 -36.54 78.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.22 -32.25 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.661 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -69.35 -46.52 66.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.281 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.673 ' HB2' HG21 ' A' ' 8' ' ' ILE . 10.8 tt0 -65.29 -40.27 93.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.896 0.379 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 tp -66.13 -44.5 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.693 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.6 t -60.4 -31.11 70.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.534 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.876 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -63.57 -65.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.638 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.657 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 176.35 120.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.524 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -54.52 -27.97 41.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.427 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.87 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 68.6 m -50.61 -25.18 3.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.537 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.88 -30.51 70.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.446 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -67.21 -50.83 59.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.388 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -71.72 -29.73 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.402 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.658 HD12 ' CG1' ' A' ' 5' ' ' VAL . 10.1 tt -71.07 -34.1 70.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -65.47 -36.9 85.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.46 -43.68 98.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -66.72 -36.45 82.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -76.61 -36.17 57.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -34.07 75.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -79.34 56.05 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.123 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.66 26.93 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.995 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.53 104.01 16.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -100.73 83.32 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.97 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -134.43 -47.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.65 -18.51 59.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 61.5 105.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.912 0.387 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -112.01 -56.34 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.885 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -119.16 -42.68 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -29.82 68.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -75.08 -42.73 56.16 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.584 ' CG1' HD12 ' B' ' 89' ' ' LEU . 3.1 t -64.46 -38.31 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.911 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.18 -42.4 99.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.642 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.88 -42.51 84.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.231 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.71 HG21 ' HB2' ' B' ' 78' ' ' GLU . 5.3 mm -61.45 -44.26 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.484 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.566 HD11 ' HG3' ' B' ' 93' ' ' ARG . 0.3 OUTLIER -56.44 -38.93 72.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.29 179.68 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -65.19 -46.68 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -62.37 -34.5 76.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.598 178.825 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -59.17 -45.33 91.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.103 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -43.04 99.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.418 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' O ' HD12 ' A' ' 18' ' ' LEU . 1.3 mt-10 -59.24 -49.46 77.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.704 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.2 mt -64.47 -48.96 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.48 -34.44 74.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -40.01 92.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.375 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.948 HD23 HD23 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -63.03 -41.83 99.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.531 179.613 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.455 ' N ' HD12 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -61.43 -45.62 93.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.675 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -42.44 99.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.674 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.0 mtm -65.39 -43.16 91.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.643 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.545 ' HG3' HG23 ' B' ' 60' ' ' ILE . 23.2 ttpp -65.98 -43.47 87.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.716 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -35.98 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.697 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -71.11 -40.08 71.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.757 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.402 ' HB3' HD11 ' B' ' 60' ' ' ILE . 5.0 mm100 -67.6 -36.23 80.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.553 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.95 -45.4 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.766 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.96 -35.56 81.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -59.36 -34.96 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.675 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.854 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -77.7 -59.85 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.799 179.792 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.32 122.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.5 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -54.49 -29.67 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.078 0.466 . . . . 0.0 110.087 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.67 -29.18 68.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.4 m -50.32 -25.16 3.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.538 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.553 HD22 ' OE2' ' A' ' 26' ' ' GLU . 3.3 mm? -57.24 -27.65 62.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.359 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -52.83 17.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.01 72.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.605 ' HG ' HD21 ' B' ' 61' ' ' LEU . 8.2 tt -69.09 -38.22 78.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -69.42 -40.1 77.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.39 -32.68 72.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -42.2 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -59.53 -40.46 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.03 -34.68 75.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -60.45 -22.94 64.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.3 -23.13 64.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -50.88 6.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.081 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 171.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.71 147.34 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -150.77 -62.86 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 169.75 17.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -175.98 144.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -143.7 -47.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -30.8 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.854 ' HB3' HD11 ' A' ' 29' ' ' LEU . 20.5 mp0 -81.43 -31.66 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.45 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.469 HG12 HD12 ' A' ' 37' ' ' LEU . 19.8 t -70.47 -32.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.492 ' HA ' HD23 ' B' ' 61' ' ' LEU . 4.1 tt0 -61.17 -44.31 97.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.47 -29.33 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.545 HG23 ' HG3' ' A' ' 22' ' ' LYS . 38.8 mm -60.24 -33.78 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.605 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.7 mm? -62.74 -39.81 95.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.663 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.77 -38.04 83.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.729 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.948 HD23 HD23 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -62.51 -34.65 77.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.677 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -35.93 82.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -37.56 73.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -69.23 -45.88 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.455 HD12 ' N ' ' A' ' 19' ' ' GLN . 11.8 tt -66.28 -35.31 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.12 -40.87 97.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -69.63 -41.17 75.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.483 HD23 HD21 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -69.55 -32.13 70.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -41.28 84.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -47.58 85.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.4 -37.78 78.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.424 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -64.41 -52.25 59.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.067 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -65.72 -38.74 90.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.064 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -33.58 70.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.416 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 27.3 mt-30 -74.13 -44.98 51.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.046 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.71 ' HB2' HG21 ' A' ' 8' ' ' ILE . 7.0 tm-20 -69.87 -32.35 70.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.813 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.46 -18.29 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.02 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -82.52 -41.62 19.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.749 HD12 ' N ' ' B' ' 82' ' ' THR . 2.7 pp -65.98 -49.97 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.992 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.749 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 172.67 119.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.782 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.53 -30.61 67.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.161 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.28 74.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.284 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' B' ' 82' ' ' THR . 0.3 OUTLIER -50.42 -25.12 3.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.656 HD23 HD13 ' B' ' 89' ' ' LEU . 8.2 mt -60.36 -29.04 68.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.492 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -59.32 -61.53 2.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.009 0.433 . . . . 0.0 110.322 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -27.37 69.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.127 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.656 HD13 HD23 ' B' ' 86' ' ' LEU . 9.4 tt -64.64 -39.62 94.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.766 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -53.64 52.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.3 -37.43 75.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -40.67 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.566 ' HG3' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -64.5 -41.59 96.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.47 -32.02 69.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -79.54 54.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.66 -23.2 12.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.987 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tp -87.47 140.04 29.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.97 -46.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -101.31 141.01 34.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.1 150.02 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.46 172.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 60.44 165.67 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.957 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -114.63 -17.44 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.349 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -64.89 -46.94 79.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.227 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.621 ' HB2' HD21 ' B' ' 81' ' ' LEU . 54.2 mm-40 -74.05 -41.98 60.95 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.256 0.551 . . . . 0.0 109.581 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.899 HG12 HD21 ' B' ' 89' ' ' LEU . 34.2 t -63.75 -35.4 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.133 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.76 -42.63 90.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.758 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.61 -44.69 77.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.959 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.579 HG21 ' HB2' ' B' ' 78' ' ' GLU . 10.7 mm -61.27 -39.85 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.315 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.77 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -56.2 -41.85 76.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.21 179.522 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -45.35 93.33 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.649 HD23 ' CD2' ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.19 -36.2 81.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.706 178.837 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -61.74 -35.86 79.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.18 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 48.6 mttt -69.4 -36.32 76.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.035 179.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.57 -32.53 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.369 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.658 ' O ' HD11 ' B' ' 67' ' ' ILE . 61.3 mt -75.86 -50.07 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.337 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -59.79 -33.91 72.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.438 179.508 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.19 -51.45 37.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.737 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.778 ' HB3' HD13 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -62.37 -30.25 71.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.33 -40.67 67.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.746 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -68.62 -34.25 75.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.655 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.0 tpp -67.43 -47.5 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -61.87 -41.97 98.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.791 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.6 -40.93 89.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -67.01 -40.4 87.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -61.58 -42.19 98.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.794 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -70.92 -44.15 66.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.684 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.97 -31.49 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.631 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -59.23 -37.35 77.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.3 OUTLIER -72.82 -72.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.518 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.43 122.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.476 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.51 -28.94 48.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.958 0.408 . . . . 0.0 110.071 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.24 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.825 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.666 ' HB3' HG21 ' B' ' 57' ' ' VAL . 75.0 m -50.31 -25.19 3.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.04 -24.83 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -58.88 -50.46 73.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.886 0.374 . . . . 0.0 110.297 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -67.06 -33.72 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.068 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.94 HD12 HG12 ' B' ' 57' ' ' VAL . 0.3 OUTLIER -60.75 -39.64 89.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.68 179.634 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -70.58 -47.91 57.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.74 -31.21 71.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -69.89 -49.63 50.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -43.34 99.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.88 -50.31 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -31.08 69.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.71 -22.12 40.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -37.48 69.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.094 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -143.13 141.83 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.14 93.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 tp -97.69 -69.04 0.77 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.16 176.72 11.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -109.31 33.14 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 39.5 p30 -86.82 -19.5 28.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -31.18 43.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.641 ' HB3' HD11 ' A' ' 29' ' ' LEU . 14.8 mp0 -81.91 -29.29 32.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.678 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.94 HG12 HD12 ' A' ' 37' ' ' LEU . 21.8 t -75.42 -32.83 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.023 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.559 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.4 OUTLIER -63.7 -36.06 82.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.872 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -31.06 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 38.4 mm -61.5 -33.62 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.69 HD11 ' CD2' ' A' ' 37' ' ' LEU . 3.7 mm? -61.69 -40.27 94.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.805 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -38.29 82.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.608 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.92 -34.54 77.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.595 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -57.51 -36.58 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.707 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -69.47 -39.57 77.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.65 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.94 -44.96 87.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.658 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.778 HD13 ' HB3' ' A' ' 18' ' ' LEU . 5.7 tp -70.79 -33.98 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.623 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.3 -39.52 92.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.629 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -68.87 -40.39 79.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.555 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.649 ' CD2' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.88 -30.68 64.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.779 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.491 ' HA ' HD13 ' A' ' 15' ' ' ILE . 20.2 tt0 -74.93 -34.63 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -69.08 -43.52 74.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 3.1 ttm -61.16 -40.67 94.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.562 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -58.54 -50.04 75.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.089 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -47.94 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -35.18 78.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.354 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.404 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -73.88 -45.75 48.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.134 -179.829 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.579 ' HB2' HG21 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -73.38 -31.51 63.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.981 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.2 tt -72.83 -29.87 63.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.765 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 44.0 t -61.6 -33.47 73.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.624 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.692 ' O ' HG23 ' B' ' 82' ' ' THR . 0.9 OUTLIER -73.46 -66.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.745 179.765 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.692 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER 179.78 126.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.576 -179.77 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -54.57 -25.92 29.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.956 0.408 . . . . 0.0 110.266 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.51 -34.93 78.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.802 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 50.3 m -50.82 -25.22 4.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.813 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.727 HD12 HD12 ' B' ' 89' ' ' LEU . 5.1 tp -67.64 -29.44 68.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.34 -33.22 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.451 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -69.72 -28.76 66.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.899 HD21 HG12 ' A' ' 5' ' ' VAL . 65.9 mt -60.67 -44.25 96.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -56.16 -50.05 72.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.35 -39.87 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.764 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -40.36 87.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -76.98 -30.56 56.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -74.88 -14.8 60.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -79.3 1.33 25.36 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.617 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -23.35 13.8 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.725 0.298 . . . . 0.0 111.286 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.03 82.09 2.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.889 0.376 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.68 170.86 7.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -133.75 -178.49 5.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 6.4 mp -80.0 65.9 5.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -131.81 61.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.84 112.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.879 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.796 0.331 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -119.89 -39.04 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -62.13 -29.63 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.928 ' HB3' HD11 ' B' ' 81' ' ' LEU . 4.5 mp0 -78.8 -46.34 18.98 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 109.855 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.593 ' CG1' HD12 ' B' ' 89' ' ' LEU . 18.2 t -62.43 -38.62 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.01 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -41.32 92.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.795 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.75 -43.5 72.77 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.149 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.897 HG23 ' HG2' ' B' ' 74' ' ' LYS . 23.6 mm -63.99 -41.52 92.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.353 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.696 HD13 HD11 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -56.34 -41.03 75.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.178 179.603 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -63.04 -44.9 94.62 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -62.27 -35.26 78.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.358 178.552 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -55.85 -48.35 75.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.735 178.821 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -61.99 -33.92 75.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.804 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.3 -49.48 66.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.847 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.805 HG22 HD22 ' B' ' 70' ' ' LEU . 0.9 OUTLIER -68.66 -33.61 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.978 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -70.78 -40.64 72.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.594 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -43.03 76.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.006 0.432 . . . . 0.0 110.084 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.914 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -65.28 -42.16 93.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.443 179.507 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.641 ' HB2' HG21 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -63.27 -41.91 99.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.536 179.758 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -47.5 83.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.521 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.23 -34.88 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.464 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HG3' HD22 ' B' ' 63' ' ' LEU . 0.0 OUTLIER -61.13 -52.11 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.769 179.755 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -68.55 -31.85 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.46 -32.42 69.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -73.65 -43.7 58.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.899 ' HB2' HG21 ' B' ' 60' ' ' ILE . 1.4 tt0 -70.54 -37.24 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.738 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.69 -29.55 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.679 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -57.8 -43.43 85.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.724 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.582 HD21 ' HB2' ' B' ' 56' ' ' GLN . 0.7 OUTLIER -68.42 -60.82 2.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.503 179.704 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.532 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.6 t 174.07 127.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.591 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.49 -25.71 27.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.998 0.427 . . . . 0.0 110.297 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.37 -28.99 68.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.13 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.532 ' OG ' HG23 ' A' ' 30' ' ' THR . 9.9 m -50.36 -25.16 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.764 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.42 -28.32 68.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.551 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -65.14 -58.28 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.511 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -62.8 -33.84 76.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.301 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.0 HD21 HD13 ' B' ' 61' ' ' LEU . 0.8 OUTLIER -62.79 -41.03 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.722 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -66.12 -46.28 78.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -30.73 71.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.828 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -71.37 -35.08 70.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -80.31 -39.34 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -25.66 65.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -56.77 -25.41 55.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.173 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -23.17 37.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.23 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -81.34 147.26 29.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.962 0.411 . . . . 0.0 110.805 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.87 159.81 4.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.87 -173.67 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.33 177.08 5.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 61.71 152.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -103.21 30.75 4.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.442 ' O ' HG23 ' B' ' 57' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.734 0.302 . . . . 0.0 110.756 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -57.49 -29.22 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -40.09 84.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.582 ' HB2' HD21 ' A' ' 29' ' ' LEU . 6.5 mm-40 -78.93 -28.51 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.372 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.496 HG12 ' CD1' ' A' ' 37' ' ' LEU . 54.5 t -73.58 -32.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.872 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.18 -36.48 81.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.79 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.74 -32.89 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.899 HG21 ' HB2' ' A' ' 26' ' ' GLU . 42.2 mm -66.45 -48.78 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 1.0 HD13 HD21 ' A' ' 37' ' ' LEU . 6.6 tp -57.08 -39.69 75.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.721 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.75 72.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.019 0.438 . . . . 0.0 110.297 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.572 HD23 HD11 ' B' ' 67' ' ' ILE . 5.1 tt -68.86 -34.35 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.39 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.89 -35.91 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.695 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -56.86 -31.89 65.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.644 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -73.54 -35.79 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.536 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.914 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.1 mm -79.84 -33.93 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.233 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -39.89 65.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.449 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -69.67 -33.11 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.328 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.805 HD22 HG22 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -68.09 -30.8 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.639 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.423 ' HA ' ' NZ ' ' B' ' 74' ' ' LYS . 32.7 mt-30 -73.41 -34.87 65.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -43.81 86.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.3 ttp -74.09 -31.95 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.818 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.897 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -77.57 -38.21 48.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.193 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -30.47 63.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.205 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.22 -32.34 62.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.076 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.413 ' HB3' HD11 ' A' ' 8' ' ' ILE . 74.6 mt-30 -73.89 -46.66 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -34.3 74.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.633 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.4 -43.72 59.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -60.4 -32.29 71.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.928 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -62.34 -65.81 0.63 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.286 179.468 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' B' ' 81' ' ' LEU . 1.2 t 169.98 125.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.3 -25.88 26.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.017 0.437 . . . . 0.0 110.35 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.58 -36.59 81.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.239 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -25.34 4.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.678 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.86 -29.19 70.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.339 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -45.45 86.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.983 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -29.5 60.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.075 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.696 HD11 HD13 ' A' ' 9' ' ' LEU . 8.8 tt -72.76 -39.47 66.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.92 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.79 -39.6 91.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.676 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -51.3 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -72.54 -41.91 65.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.71 -26.97 68.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -65.83 77.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.73 -23.16 15.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.458 ' H ' HD12 ' B' ' 97' ' ' LEU . 0.9 OUTLIER -65.0 145.08 56.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.804 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -102.8 -61.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -122.9 -60.47 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 7.4 tt 68.0 -68.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.32 134.68 45.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.969 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.54 -31.93 62.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.929 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 p30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -60.92 -28.11 68.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.736 ' CB ' HD22 ' B' ' 81' ' ' LEU . 4.3 mt-30 -78.39 -38.37 41.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.123 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.411 ' CG1' HD12 ' B' ' 89' ' ' LEU . 5.5 t -73.91 -32.73 34.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.083 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -66.22 -49.37 67.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.295 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -63.3 -36.88 85.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.962 0.41 . . . . 0.0 110.143 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.797 HD11 ' CG ' ' B' ' 77' ' ' GLN . 1.2 mp -65.1 -37.26 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.054 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.475 HD13 ' HG ' ' B' ' 89' ' ' LEU . 1.9 tp -63.75 -41.65 97.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.143 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.14 -39.64 90.79 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.429 ' HB3' ' CG ' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -66.3 -38.72 88.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.632 178.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.78 -37.36 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.478 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -63.81 -50.22 69.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.599 ' OE1' HD21 ' B' ' 70' ' ' LEU . 8.8 pt-20 -59.35 -36.5 75.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.894 HD13 ' HA ' ' B' ' 71' ' ' GLN . 20.3 mt -72.32 -53.21 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.0 0.429 . . . . 0.0 110.345 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -34.63 70.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.465 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.89 -37.83 76.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.338 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.627 HD23 HD21 ' B' ' 63' ' ' LEU . 0.2 OUTLIER -62.67 -37.77 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.648 179.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.66 -37.05 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -66.93 -41.29 87.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.723 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.8 ptp -70.03 -36.67 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.68 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HG2' HG23 ' B' ' 60' ' ' ILE . 9.6 ttpp -70.12 -44.32 69.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -39.04 89.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.643 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.95 -41.11 78.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.713 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -42.59 94.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.727 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.621 ' OE2' HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -66.67 -47.17 73.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.753 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -32.41 74.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.2 t -59.82 -40.67 89.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -64.71 -58.4 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.363 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.487 HG23 ' OG ' ' A' ' 33' ' ' SER . 2.6 t 175.51 123.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.379 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.43 -25.6 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.493 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.08 -28.97 68.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.202 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.529 ' OG ' HG21 ' B' ' 57' ' ' VAL . 4.6 m -50.35 -25.14 3.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.485 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 34' ' ' LEU . 3.3 mm? -57.91 -29.03 64.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.45 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.59 -50.57 64.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.392 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -39.75 93.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.298 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.802 HD12 ' CG1' ' B' ' 57' ' ' VAL . 0.2 OUTLIER -60.0 -41.5 92.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.648 179.645 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.75 -44.37 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -45.26 95.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.769 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -61.99 -44.08 97.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.744 0.307 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -32.37 67.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.586 ' HB3' HD11 ' A' ' 29' ' ' LEU . 4.6 mm-40 -81.87 -34.01 30.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.802 ' CG1' HD12 ' A' ' 37' ' ' LEU . 30.4 t -73.15 -32.85 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.809 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.506 ' HA ' HD23 ' B' ' 61' ' ' LEU . 1.1 mt-10 -63.71 -36.04 82.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.782 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -31.18 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.535 HG23 ' HG2' ' A' ' 22' ' ' LYS . 36.5 mt -63.6 -33.88 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.687 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.9 mm? -56.59 -38.13 71.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.736 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -69.33 -32.89 72.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.559 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.627 HD21 HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -70.57 -34.58 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.714 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -59.76 -37.71 79.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.698 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -66.17 -40.54 90.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.693 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -49.38 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.71 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -67.46 -34.1 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.33 -42.84 61.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.37 -39.76 85.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.602 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.755 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -61.7 -33.51 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.615 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.894 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -69.8 -33.27 72.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.08 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -61.21 -39.06 88.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -32.05 63.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.67 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -74.19 -41.22 61.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.458 ' O ' HD23 ' B' ' 79' ' ' LEU . 3.2 mt-10 -69.93 -37.63 75.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -32.24 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.755 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.797 ' CG ' HD11 ' A' ' 8' ' ' ILE . 1.2 tp-100 -67.45 -46.38 73.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.325 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.48 -36.55 79.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 110.947 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.458 HD23 ' O ' ' B' ' 75' ' ' GLU . 4.1 mm? -75.7 -12.83 60.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 52.8 p -84.15 -44.81 13.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.302 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.782 HD12 ' N ' ' B' ' 82' ' ' THR . 3.3 pp -70.76 -54.83 10.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 0.0 111.044 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.782 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.2 OUTLIER -171.69 119.41 0.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.786 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -60.59 -31.65 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.034 0.445 . . . . 0.0 110.114 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.14 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.403 ' OG ' HD11 ' B' ' 81' ' ' LEU . 8.9 p -50.45 -25.06 3.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.792 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 86' ' ' LEU . 10.5 tp -62.41 -28.63 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -59.5 -60.67 3.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.444 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -63.43 -29.1 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.384 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.545 ' C ' HD23 ' B' ' 89' ' ' LEU . 9.1 tt -67.05 -36.3 81.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.851 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -60.21 -42.27 94.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.28 -40.67 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.08 84.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.722 0.296 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -34.82 72.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.849 ' HB3' HD11 ' B' ' 81' ' ' LEU . 5.7 mm100 -75.76 -41.57 52.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 1.063 HG12 HD21 ' B' ' 89' ' ' LEU . 13.9 t -64.43 -36.41 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.916 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -66.7 -40.41 88.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.801 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -47.62 77.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.165 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.686 HG23 ' HG2' ' B' ' 74' ' ' LYS . 27.3 mm -63.77 -34.62 69.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.336 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.752 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -57.16 -45.61 83.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.265 179.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -65.5 -42.87 91.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.699 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -34.61 76.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.81 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 2.7 tm-20 -64.19 -41.0 97.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.15 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -61.69 -40.85 96.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -48.39 81.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.602 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.889 HD13 ' HA ' ' B' ' 71' ' ' GLN . 10.2 mt -66.09 -48.36 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.506 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -59.58 -34.45 72.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.33 179.549 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.454 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -70.29 -33.53 71.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.487 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -51.6 40.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -60.24 -39.9 88.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.098 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HG2' ' HA ' ' A' ' 17' ' ' ASP . 15.6 ptm180 -70.21 -34.32 72.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 110.167 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 ttp -73.68 -32.86 64.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.54 -47.18 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.577 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -36.66 82.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.694 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.14 -41.23 81.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.777 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.57 -41.55 98.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.711 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' OE1' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -69.15 -42.18 76.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.709 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.2 -40.5 94.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.635 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -37.14 73.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.418 . . . . 0.0 110.27 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.1 OUTLIER -66.73 -68.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.261 179.382 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 m -166.54 120.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.329 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -54.47 -27.02 34.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.369 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.01 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.645 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.512 ' OG ' HG21 ' B' ' 57' ' ' VAL . 64.8 m -50.34 -25.01 3.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.694 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.475 HD22 ' OE1' ' A' ' 26' ' ' GLU . 1.6 mm? -59.98 -28.21 67.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.421 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -74.47 -54.44 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.732 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -36.85 85.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.615 ' HG ' HD21 ' B' ' 61' ' ' LEU . 10.2 tt -67.73 -40.8 84.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.743 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -69.14 -40.44 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.59 -44.04 97.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.74 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -63.69 -41.78 98.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.711 0.291 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -67.67 -35.51 78.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.845 ' HB3' HD11 ' A' ' 29' ' ' LEU . 57.4 mm-40 -80.28 -29.49 38.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.541 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.518 HG12 HD12 ' A' ' 37' ' ' LEU . 43.7 t -71.75 -32.75 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.633 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.533 ' HA ' HD23 ' B' ' 61' ' ' LEU . 10.7 tt0 -58.26 -43.67 88.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.448 ' OE2' HD13 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -59.64 -27.41 66.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.886 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.448 HD13 ' OE2' ' B' ' 59' ' ' GLU . 39.7 mm -64.1 -33.65 63.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.615 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.9 mm? -61.96 -41.64 98.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.653 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -59.91 -36.98 78.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.741 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.28 -34.7 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.414 ' HA ' HG22 ' B' ' 67' ' ' ILE . 8.3 tm-20 -60.33 -36.68 78.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.754 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.94 -35.69 64.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -38.4 65.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.781 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -72.98 -41.57 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.416 ' N ' HG23 ' B' ' 67' ' ' ILE . 2.8 pp20? -68.16 -36.62 79.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.604 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -69.67 -33.87 73.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.759 HD22 ' CG1' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -72.71 -34.07 66.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.622 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.889 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.7 tt0 -68.18 -41.05 82.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -58.18 -36.26 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -32.87 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.686 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -78.77 -38.35 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -74.84 -30.67 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -73.44 -32.44 64.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.444 ' HB3' HD11 ' A' ' 8' ' ' ILE . 2.4 mt-30 -71.29 -46.69 60.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.593 ' HB2' HG21 ' A' ' 8' ' ' ILE . 4.4 tt0 -63.94 -34.06 77.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 0.0 110.831 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -51.17 33.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.636 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -61.66 -28.14 69.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.849 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.4 OUTLIER -65.69 -67.17 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.683 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.647 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 174.64 119.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.607 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -28.11 43.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.447 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.54 83.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.78 -25.68 4.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -26.22 62.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.699 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -36.4 78.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.734 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -73.24 -32.47 64.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.659 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 1.063 HD21 HG12 ' A' ' 5' ' ' VAL . 64.7 mt -63.59 -32.08 73.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.762 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -53.68 55.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -66.24 -30.78 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -39.51 66.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.726 0.298 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -59.63 -29.76 68.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.196 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.774 ' CB ' HD11 ' B' ' 81' ' ' LEU . 5.7 mp0 -78.3 -44.72 24.54 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.069 0.462 . . . . 0.0 109.936 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 1.048 HG12 HD21 ' B' ' 89' ' ' LEU . 3.8 t -65.19 -35.66 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.17 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.4 -42.47 83.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.964 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.08 -46.88 78.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.701 HG23 ' HG2' ' B' ' 74' ' ' LYS . 29.2 mm -63.89 -34.08 66.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.226 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.725 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -57.12 -48.7 78.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.17 179.397 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -64.4 -40.24 95.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.18 0.514 . . . . 0.0 109.696 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -35.41 79.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.955 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.61 -42.37 95.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.385 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -43.02 99.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.72 -45.39 92.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.898 HD13 ' HA ' ' B' ' 71' ' ' GLN . 11.1 mt -69.11 -45.31 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -34.44 76.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.445 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -69.59 -39.07 77.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.474 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 0.2 OUTLIER -71.28 -34.62 70.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.857 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -40.67 74.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -67.76 -42.87 81.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.269 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.474 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 1.9 ptp -68.0 -32.03 72.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.42 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -50.14 71.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.39 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -62.65 -44.1 97.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.675 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -38.71 84.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.668 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -45.21 93.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.31 -37.91 74.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.751 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.88 -34.79 77.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.585 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -41.23 86.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -61.58 -51.36 68.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.295 179.495 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 33' ' ' SER . 1.0 OUTLIER 169.53 123.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.185 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -54.44 -25.96 28.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.7 -32.77 73.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.444 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.652 ' OG ' HG21 ' B' ' 57' ' ' VAL . 0.4 OUTLIER -50.5 -25.13 3.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.738 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 34' ' ' LEU . 1.2 mm? -61.47 -27.99 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.288 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.92 -46.65 74.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.372 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.79 -40.72 83.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.298 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.013 HD11 HD13 ' B' ' 61' ' ' LEU . 0.9 OUTLIER -59.4 -36.76 76.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.604 179.633 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -39.94 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -66.29 -45.03 81.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.967 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -64.91 -37.24 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 56.7 t30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.739 0.304 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -32.51 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.774 ' HB3' HD11 ' A' ' 29' ' ' LEU . 11.9 mt-30 -81.75 -31.59 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.502 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.652 HG21 ' OG ' ' A' ' 33' ' ' SER . 26.4 t -72.15 -32.7 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.86 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -72.06 -31.56 66.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.59 -41.92 92.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.8 mt -60.47 -33.41 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 1.013 HD13 HD11 ' A' ' 37' ' ' LEU . 3.7 tp -59.39 -37.12 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.493 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -35.3 80.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.161 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.8 -34.21 77.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.356 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' B' ' 67' ' ' ILE . 8.8 tt0 -55.86 -35.96 67.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.821 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -31.7 72.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -49.44 30.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.463 HG22 ' HA ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -69.09 -37.12 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.407 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -68.03 -41.73 81.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.552 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -69.62 -32.85 71.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.018 0.437 . . . . 0.0 110.464 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.721 HD22 ' CG1' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -72.73 -34.68 67.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.624 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.898 ' HA ' HD13 ' A' ' 15' ' ' ILE . 22.2 tt0 -70.77 -29.15 65.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 -64.49 -38.81 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 1.3 ttt -73.81 -34.55 64.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.701 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -75.28 -39.09 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.68 -38.74 62.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -70.65 -32.37 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.451 ' HB3' HD11 ' A' ' 8' ' ' ILE . 13.9 mt-30 -71.81 -46.7 57.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.675 ' HB2' HG21 ' A' ' 8' ' ' ILE . 1.9 tm-20 -69.36 -37.13 77.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.372 . . . . 0.0 110.738 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.694 ' O ' HD23 ' B' ' 79' ' ' LEU . 4.1 tt -67.95 -40.53 83.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.641 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 45.4 t -68.99 -30.45 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.505 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -64.44 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.684 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.578 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.0 OUTLIER 177.01 119.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.685 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -28.56 48.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.932 0.396 . . . . 0.0 110.435 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.31 -32.95 74.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.939 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 73.4 m -50.62 -25.18 3.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.764 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.598 HD23 HD12 ' B' ' 89' ' ' LEU . 11.9 mt -65.85 -27.83 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -65.9 -46.42 78.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.4 ' CE ' HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -68.82 -28.43 66.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.751 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 1.048 HD21 HG12 ' A' ' 5' ' ' VAL . 21.0 mt -67.36 -31.51 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.06 -43.06 86.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.43 -43.19 97.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -73.28 -33.93 65.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.3 t30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.318 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.85 -39.46 90.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.81 -42.03 58.85 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.821 HG12 HD21 ' B' ' 89' ' ' LEU . 3.8 t -63.47 -41.04 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.245 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.31 -41.88 98.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.937 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -42.93 80.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.414 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.57 HG23 ' HG2' ' B' ' 74' ' ' LYS . 4.7 mm -63.7 -41.11 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.723 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -56.22 -41.46 75.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.321 179.663 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -63.32 -46.35 87.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.164 0.507 . . . . 0.0 109.695 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.681 HD22 HD11 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -62.27 -34.59 76.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.687 178.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.79 -42.38 93.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.016 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' HG2' ' A' ' 16' ' ' GLU . 31.4 mttp -62.89 -42.08 99.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.091 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.9 -39.48 93.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.872 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.681 HD11 HD22 ' A' ' 11' ' ' LEU . 6.2 mt -70.93 -48.21 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.823 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -66.56 -33.85 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.811 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 40.7 t0 -68.28 -43.68 77.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.84 0.352 . . . . 0.0 110.505 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.513 HD23 HD21 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -65.49 -35.25 80.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 179.713 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -48.54 78.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.519 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -66.52 -34.16 77.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.536 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -44.03 88.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.784 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.73 -49.92 74.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -65.0 -42.26 94.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -68.93 -32.44 72.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.726 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -71.23 -46.57 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.676 ' HB2' HG21 ' B' ' 60' ' ' ILE . 0.6 OUTLIER -67.39 -37.33 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.688 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -41.59 97.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.554 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -58.69 -32.95 69.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.971 0.415 . . . . 0.0 110.346 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.732 HD11 ' CB ' ' B' ' 56' ' ' GLN . 0.5 OUTLIER -68.16 -54.91 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.338 179.49 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 177.64 119.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.496 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.87 -28.9 53.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.36 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.58 69.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.0 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.6 m -50.76 -24.92 3.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 34' ' ' LEU . 1.3 mm? -63.21 -29.31 70.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.93 18.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -63.02 -39.77 95.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.443 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.85 HD11 HD13 ' B' ' 61' ' ' LEU . 0.4 OUTLIER -62.29 -41.91 98.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.809 179.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.53 -40.43 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.32 -40.0 95.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -46.28 88.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.673 0.273 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -64.78 -34.81 79.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.732 ' CB ' HD11 ' A' ' 29' ' ' LEU . 9.7 mm100 -80.62 -32.87 36.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.429 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.704 HG12 HD12 ' A' ' 37' ' ' LEU . 24.7 t -70.33 -32.67 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.806 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.79 -34.72 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.683 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.48 -32.8 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.676 HG21 ' HB2' ' A' ' 26' ' ' GLU . 39.1 mm -63.68 -34.05 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.772 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.85 HD13 HD11 ' A' ' 37' ' ' LEU . 1.2 tp -65.12 -39.12 92.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -36.55 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.513 HD21 HD23 ' A' ' 18' ' ' LEU . 1.6 tt -63.44 -34.38 77.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.683 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -55.69 -35.96 66.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -31.2 72.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.631 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.574 ' O ' HD12 ' B' ' 70' ' ' LEU . 4.7 tt0 -71.85 -49.07 41.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.747 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.419 ' HB ' ' HB3' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -67.68 -35.12 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -68.12 -38.82 82.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.706 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.79 -46.95 88.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.681 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.574 HD12 ' O ' ' B' ' 66' ' ' GLU . 1.5 mt -62.43 -33.59 75.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.05 -50.79 64.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -43.99 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -32.07 73.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.601 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.57 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -69.12 -50.81 44.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.071 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.52 -37.08 85.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -34.2 72.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.103 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.424 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -74.03 -46.33 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.976 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.57 ' HA ' HD21 ' B' ' 81' ' ' LEU . 1.5 tt0 -64.86 -29.21 70.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.88 -24.53 41.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.664 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.31 -44.2 46.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.66 HD12 ' N ' ' B' ' 82' ' ' THR . 2.7 pp -67.1 -48.07 69.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.66 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 176.31 119.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.947 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -59.72 -29.49 68.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.338 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.33 -30.91 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 70.4 m -50.53 -25.3 3.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.556 HD22 ' OE2' ' B' ' 78' ' ' GLU . 4.1 mm? -60.94 -32.42 71.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -31.5 59.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -31.58 71.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.821 HD21 HG12 ' A' ' 5' ' ' VAL . 42.5 mt -59.83 -42.75 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -49.33 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.035 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.67 -32.58 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.025 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -41.04 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.141 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.83 0.347 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -28.17 66.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -75.64 -41.17 54.88 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' B' ' 85' ' ' SER . 2.9 t -64.88 -37.84 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.135 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.46 -42.03 92.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.072 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -44.76 84.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.482 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' B' ' 78' ' ' GLU . 5.4 mm -64.5 -36.66 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.704 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.625 HD13 HD11 ' B' ' 89' ' ' LEU . 0.5 OUTLIER -59.53 -45.61 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.331 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tpp85 -62.33 -44.82 95.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.122 0.486 . . . . 0.0 109.7 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -62.44 -35.51 79.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.766 179.051 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.19 -45.34 91.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.279 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -39.76 92.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.156 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.17 -43.62 92.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.472 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.834 HD12 ' HE3' ' B' ' 74' ' ' LYS . 38.8 mt -73.47 -38.14 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.311 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -39.28 93.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.88 -38.83 76.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.426 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.825 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -71.08 -33.97 70.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.588 179.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -71.51 -46.6 59.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.752 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -65.29 -34.36 78.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.656 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 ttp -67.4 -42.32 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.727 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.99 -47.86 84.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.742 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.532 ' O ' HD13 ' A' ' 27' ' ' LEU . 15.4 mt-10 -66.6 -38.6 87.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -69.18 -36.39 77.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -66.8 -43.09 84.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.723 ' OE1' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -68.12 -44.54 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 23' ' ' GLU . 5.2 mp -62.27 -32.87 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.741 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 p -57.12 -36.84 71.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.49 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 30' ' ' THR . 0.3 OUTLIER -69.89 -54.43 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.333 179.554 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 174.42 121.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.364 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -54.51 -29.03 49.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 -28.96 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.778 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.1 m -50.08 -25.09 3.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.685 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.723 HD22 ' OE1' ' A' ' 26' ' ' GLU . 3.3 mm? -58.54 -27.48 64.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -65.83 -40.98 92.3 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.717 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -65.02 -48.51 73.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.602 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.101 HD21 HG12 ' B' ' 57' ' ' VAL . 84.4 mt -56.08 -39.51 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.123 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.1 -39.03 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -34.67 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -31.73 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.505 ' NH1' HD22 ' B' ' 61' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -61.09 -32.31 71.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.53 ' CB ' HD21 ' A' ' 29' ' ' LEU . 14.8 mt-30 -81.95 -35.47 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.39 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 1.101 HG12 HD21 ' A' ' 37' ' ' LEU . 28.5 t -74.64 -32.91 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.866 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -33.26 75.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.763 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.55 -35.04 75.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.686 HG21 ' HB2' ' A' ' 26' ' ' GLU . 36.7 mm -62.89 -37.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.798 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.824 HD21 HD22 ' A' ' 37' ' ' LEU . 44.9 mt -60.34 -46.96 88.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 ttt-85 -61.39 -32.8 72.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.417 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.718 ' CD2' HD11 ' B' ' 67' ' ' ILE . 1.9 tt -65.8 -34.52 78.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.556 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.19 -35.82 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.734 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -58.77 -34.76 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -32.06 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.727 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.825 HD12 ' HB3' ' A' ' 18' ' ' LEU . 3.3 mm -75.0 -44.69 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -68.17 -36.94 80.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.683 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.49 -43.39 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.783 HD22 HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -68.34 -39.46 81.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.437 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.799 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.6 tt0 -64.53 -42.54 95.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -38.6 71.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 6.5 ttt -74.07 -31.99 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.739 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.834 ' HE3' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -71.15 -41.72 70.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -69.33 -43.51 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -65.44 -32.31 73.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.419 ' HB3' HD12 ' A' ' 8' ' ' ILE . 14.4 tt0 -72.63 -46.57 53.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.321 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.758 ' OE2' HD22 ' B' ' 86' ' ' LEU . 0.6 OUTLIER -68.33 -29.08 67.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tp -80.77 -20.82 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.821 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.81 -43.05 31.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.707 HD12 ' N ' ' B' ' 82' ' ' THR . 2.0 pp -63.98 -49.73 71.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.732 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.707 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 175.47 119.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -29.26 61.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.47 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -29.21 68.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.949 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.621 ' OG ' HD11 ' B' ' 81' ' ' LEU . 60.2 p -50.57 -25.28 3.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.653 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.758 HD22 ' OE2' ' B' ' 78' ' ' GLU . 2.4 mm? -61.09 -30.26 70.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.528 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -72.48 -60.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.535 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -59.89 -30.5 69.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.628 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.625 HD11 HD13 ' A' ' 9' ' ' LEU . 9.0 tt -64.97 -41.24 95.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.9 -42.35 94.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.46 -31.04 67.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.16 80.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.769 0.319 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -28.79 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.946 ' HB3' HD11 ' B' ' 81' ' ' LEU . 5.6 mt-30 -77.99 -43.0 30.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.082 0.467 . . . . 0.0 109.887 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 1.027 HG12 HD21 ' B' ' 89' ' ' LEU . 2.8 t -68.21 -34.13 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.079 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -43.96 82.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.826 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -40.1 85.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.206 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' HG2' ' B' ' 74' ' ' LYS . 22.6 mm -62.22 -42.3 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.501 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.867 ' CD2' HD22 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -57.25 -52.47 65.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.105 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 ttm-85 -58.29 -38.44 77.05 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -65.07 -37.27 86.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.601 178.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -43.18 82.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.956 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -64.96 -40.73 95.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.065 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.84 -47.58 82.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.442 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.707 HD13 ' HA ' ' B' ' 71' ' ' GLN . 19.4 mt -65.4 -49.52 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -35.19 74.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.464 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.51 -39.47 88.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.434 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.536 HD23 HD21 ' B' ' 63' ' ' LEU . 0.4 OUTLIER -63.24 -39.81 95.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.531 179.61 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -47.3 84.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.738 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -59.97 -43.82 94.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.599 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.53 -32.54 74.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -52.6 55.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.67 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -33.49 74.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -68.67 -34.82 76.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.729 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -38.48 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.636 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.761 ' HG2' HD12 ' B' ' 60' ' ' ILE . 0.1 OUTLIER -72.96 -43.81 61.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 179.769 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -66.99 -34.86 78.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.653 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -59.0 -36.8 75.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.156 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.753 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -70.87 -69.25 0.38 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.287 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 m -166.88 122.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.263 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.38 -26.31 29.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.415 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.46 -28.97 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.93 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.485 ' HB3' HG11 ' B' ' 57' ' ' VAL . 26.9 m -50.11 -25.03 3.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.75 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.59 -26.79 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.557 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -68.73 -44.24 74.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.704 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.656 ' HZ1' HG21 ' B' ' 57' ' ' VAL . 4.8 mtmp? -68.29 -42.87 78.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.228 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.672 HD12 HG12 ' B' ' 57' ' ' VAL . 0.2 OUTLIER -58.16 -38.33 76.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.821 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -70.23 -49.82 46.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -31.83 73.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -67.88 -43.58 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.828 0.347 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -30.29 71.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.753 ' HB3' HD11 ' A' ' 29' ' ' LEU . 26.0 mt-30 -82.0 -34.68 29.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.568 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.672 HG12 HD12 ' A' ' 37' ' ' LEU . 11.7 t -72.97 -32.94 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.826 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.534 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.5 OUTLIER -62.78 -37.89 88.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.586 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.75 -31.34 72.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.761 HD12 ' HG2' ' A' ' 26' ' ' GLU . 20.7 mt -62.36 -33.54 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.607 HD21 ' HG ' ' A' ' 37' ' ' LEU . 4.2 mm? -57.79 -44.73 86.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -62.2 -32.98 73.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.613 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.536 HD21 HD23 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -67.03 -34.73 78.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.622 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -58.7 -35.96 73.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.691 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -66.56 -34.41 77.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -49.45 52.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.401 HG23 ' N ' ' B' ' 68' ' ' GLU . 0.0 OUTLIER -67.1 -39.98 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 179.492 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.401 ' N ' HG23 ' B' ' 67' ' ' ILE . 1.8 mt-10 -63.85 -42.38 97.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.378 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -69.66 -32.94 71.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.417 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.668 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -70.66 -36.36 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.533 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.707 ' HA ' HD13 ' A' ' 15' ' ' ILE . 17.8 tt0 -74.61 -35.05 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -35.1 78.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 19.1 ptm -73.82 -35.57 64.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.726 ' HG2' HG23 ' A' ' 8' ' ' ILE . 5.2 ttpp -73.51 -43.05 60.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.767 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.36 -34.54 77.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.88 -32.27 59.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.523 ' HB3' HD11 ' A' ' 8' ' ' ILE . 4.2 mm-40 -70.74 -41.36 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -68.89 -43.23 75.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -38.76 92.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.7 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 t -70.84 -29.92 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.946 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -66.01 -66.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.652 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.671 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 176.65 119.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.743 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -54.84 -28.19 47.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -32.22 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.058 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 62.0 m -50.63 -25.18 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.769 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' B' ' 86' ' ' LEU . 15.0 mt -64.58 -28.66 69.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.708 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -74.73 -30.72 61.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.761 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -76.33 -35.15 58.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 1.027 HD21 HG12 ' A' ' 5' ' ' VAL . 90.3 mt -67.08 -36.81 82.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.734 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -59.23 -39.04 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.94 -36.12 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -77.3 -35.83 54.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.658 0.266 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -65.85 -30.4 71.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.026 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.908 ' HB3' HD11 ' B' ' 81' ' ' LEU . 61.2 mt-30 -79.91 -48.47 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.041 0.448 . . . . 0.0 109.81 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.714 ' CG1' HD12 ' B' ' 89' ' ' LEU . 12.8 t -65.39 -33.01 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.011 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.56 -41.46 75.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.894 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.01 -42.52 85.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.212 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.56 HG21 ' HG3' ' B' ' 78' ' ' GLU . 16.9 mm -67.78 -36.86 77.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.665 HD13 HD11 ' B' ' 89' ' ' LEU . 1.2 tp -58.98 -42.49 90.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.195 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -65.51 -44.74 86.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -62.32 -34.51 76.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.699 178.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -60.34 -46.59 89.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.089 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -59.94 -41.07 91.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.355 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.46 -49.43 77.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.661 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.702 HG13 HD22 ' B' ' 70' ' ' LEU . 3.4 mt -67.39 -41.93 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -38.07 84.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.333 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.9 -33.22 71.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.293 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.937 HD22 HG22 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -72.64 -38.48 67.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.655 179.73 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -67.92 -45.13 75.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.71 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -39.48 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.689 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 tpp -64.2 -39.44 93.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.803 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -67.11 -45.83 76.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.786 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.3 -41.88 96.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -35.17 79.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.727 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.561 ' HB3' HD12 ' B' ' 60' ' ' ILE . 3.8 tp-100 -66.31 -45.62 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' HB2' HG21 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -66.92 -45.11 78.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.34 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.734 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.52 -40.99 88.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -68.7 -55.58 10.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.631 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.62 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.2 t 176.9 125.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.462 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.42 -25.72 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.522 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.02 -28.91 68.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.004 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.62 ' OG ' HG23 ' A' ' 30' ' ' THR . 12.0 m -50.27 -25.1 3.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.601 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 34' ' ' LEU . 4.0 mm? -58.32 -29.63 66.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -70.34 -53.22 17.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.484 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -67.57 -34.76 77.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.517 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.628 ' HG ' HD21 ' B' ' 61' ' ' LEU . 3.2 tt -66.97 -33.2 75.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -46.83 57.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.72 -33.97 74.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -36.07 58.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HG3' HD22 ' B' ' 61' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 24.0 p30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.796 0.331 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -63.11 -37.59 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.45 ' HB2' HD21 ' A' ' 29' ' ' LEU . 32.5 mm-40 -79.51 -29.54 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.42 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.624 HG12 HD12 ' A' ' 37' ' ' LEU . 40.1 t -72.28 -33.03 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.83 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.54 -37.71 82.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.699 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -31.26 71.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 25' ' ' GLN . 38.8 mm -60.55 -44.66 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.628 HD21 ' HG ' ' A' ' 37' ' ' LEU . 62.7 mt -59.68 -35.34 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.605 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -36.7 81.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.497 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.72 -34.41 77.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.499 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.44 -37.05 69.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.792 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -62.68 -31.49 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.53 -48.67 31.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.937 HG22 HD22 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.68 -33.56 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.762 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.45 ' N ' HG13 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -68.7 -47.63 65.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.613 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.42 -39.19 86.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.35 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.702 HD22 HG13 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -72.9 -31.15 64.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.538 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.559 ' CB ' HG21 ' A' ' 15' ' ' ILE . 10.2 tt0 -75.8 -28.67 58.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -68.92 -45.39 70.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.2 ttm -68.11 -31.94 71.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.571 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -72.55 -44.75 61.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.115 -179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -71.03 -37.29 72.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.063 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -32.3 70.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.779 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.445 ' HB3' HD11 ' A' ' 8' ' ' ILE . 1.4 mt-30 -69.03 -46.74 67.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.56 ' HG3' HG21 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -66.09 -38.38 88.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.609 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -45.11 91.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.578 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -61.57 -25.38 67.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -69.37 -71.75 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.519 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.721 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.6 OUTLIER -178.67 120.67 0.08 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.46 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -54.29 -27.73 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.434 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.36 -31.23 71.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.832 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 66.4 p -50.48 -25.31 3.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.588 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.403 HD23 ' O ' ' B' ' 83' ' ' GLU . 4.3 mm? -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.572 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.92 -57.84 6.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.545 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -66.77 -31.66 72.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.714 HD12 ' CG1' ' A' ' 5' ' ' VAL . 10.1 tt -67.96 -32.96 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.755 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -66.84 -34.52 77.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -61.65 -40.7 95.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -68.8 -41.97 77.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.81 0.338 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -27.96 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -78.55 -45.12 22.56 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.946 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.586 HG12 HD12 ' B' ' 89' ' ' LEU . 3.1 t -65.46 -36.68 78.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.021 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.08 -42.38 89.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.931 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.4 -43.45 83.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.342 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' B' ' 78' ' ' GLU . 8.8 mm -67.74 -34.91 70.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.511 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.621 HD13 HD11 ' B' ' 89' ' ' LEU . 1.2 tp -60.47 -42.82 96.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.236 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -44.83 90.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.327 0.584 . . . . 0.0 109.427 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.404 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -62.34 -34.62 77.0 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.738 178.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.09 -42.38 98.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.946 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -62.78 -39.2 93.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.179 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.25 -43.88 95.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.582 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.846 HD13 ' HA ' ' B' ' 71' ' ' GLN . 21.9 mt -72.47 -42.22 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.397 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -36.03 82.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.284 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.89 -39.21 76.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.336 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.958 HD22 HG22 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -65.95 -45.07 83.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.541 179.553 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.35 -45.82 89.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.624 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -65.62 -43.21 90.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.709 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.658 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -70.27 -41.4 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -68.41 -38.56 81.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -37.34 84.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.767 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -68.11 -46.63 70.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.8 ' HB2' HG21 ' B' ' 60' ' ' ILE . 1.2 tt0 -66.05 -36.56 83.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.717 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.52 -34.29 73.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -32.51 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.632 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -71.68 -71.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.542 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -166.08 123.07 1.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.541 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -28.59 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.118 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.6 -29.15 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.774 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 m -50.35 -25.08 3.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.807 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.419 HD22 ' OE2' ' A' ' 26' ' ' GLU . 1.7 mm? -59.96 -29.59 68.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.434 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -57.66 3.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -31.4 72.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.447 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.788 HD12 HG12 ' B' ' 57' ' ' VAL . 5.5 tt -67.62 -43.26 80.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -71.63 -39.91 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -46.66 88.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -48.05 80.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.499 ' HG3' HD22 ' B' ' 61' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.861 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.753 0.311 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -29.39 69.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.623 ' HB3' HD11 ' A' ' 29' ' ' LEU . 23.2 mm-40 -81.87 -31.62 31.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.684 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.788 HG12 HD12 ' A' ' 37' ' ' LEU . 26.1 t -72.45 -32.86 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.062 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' B' ' 61' ' ' LEU . 96.9 mt-10 -64.82 -35.41 81.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -39.23 79.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.8 HG21 ' HB2' ' A' ' 26' ' ' GLU . 40.3 mm -63.15 -39.92 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.553 HD21 ' HG ' ' A' ' 37' ' ' LEU . 21.2 mt -58.18 -34.91 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -40.24 93.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.421 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.5 ' O ' HG23 ' B' ' 67' ' ' ILE . 1.6 mt -67.77 -34.43 76.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.347 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.411 ' O ' HG13 ' B' ' 67' ' ' ILE . 1.3 tt0 -57.11 -36.0 70.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.778 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -61.47 -35.06 76.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -73.82 -39.16 64.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.958 HG22 HD22 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -71.53 -33.82 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.328 -179.574 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.457 ' N ' HG13 ' B' ' 67' ' ' ILE . 12.5 pt-20 -74.53 -41.83 59.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -65.52 -33.06 75.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.72 HD22 HG12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -72.75 -33.8 66.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.716 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.846 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.2 tt0 -67.66 -35.9 79.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.061 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -58.48 -40.89 83.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.8 ttp -73.97 -32.13 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.272 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.691 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -75.39 -35.29 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.987 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -43.36 55.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.794 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -68.8 -32.29 71.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 2.5 mt-30 -68.32 -46.64 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.725 ' HB2' HG21 ' A' ' 8' ' ' ILE . 4.6 tm-20 -69.46 -31.73 70.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.91 0.386 . . . . 0.0 110.763 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 mp -80.02 -21.6 43.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.634 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 29.6 t -77.84 -43.59 29.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.739 HD12 ' N ' ' B' ' 82' ' ' THR . 2.7 pp -63.68 -47.43 81.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.831 0.348 . . . . 0.0 110.752 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.739 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 172.08 119.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.791 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -58.05 -29.86 65.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.343 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -32.07 72.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.003 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.468 ' HB3' HG22 ' A' ' 5' ' ' VAL . 57.8 m -50.71 -25.0 3.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' ' 86' ' ' LEU . 10.7 tp -65.28 -29.61 70.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.597 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -61.1 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.274 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -29.65 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.306 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.621 HD11 HD13 ' A' ' 9' ' ' LEU . 10.4 tt -63.27 -37.27 86.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.773 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -32.09 73.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.96 -40.2 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -62.76 -49.48 74.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.885 0.374 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -29.9 71.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.855 ' HB3' HD11 ' B' ' 81' ' ' LEU . 18.4 mm-40 -78.51 -46.19 20.18 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 109.791 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.583 ' CG1' HD12 ' B' ' 89' ' ' LEU . 19.6 t -64.52 -35.7 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.946 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.42 -39.61 85.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.758 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.41 -48.75 76.3 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.154 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.657 HG21 ' HB2' ' B' ' 78' ' ' GLU . 21.1 mm -63.16 -35.37 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.349 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.64 HD13 HD11 ' B' ' 89' ' ' LEU . 1.2 tp -56.42 -44.94 80.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.11 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -42.34 95.78 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -62.4 -34.68 77.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.872 178.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HA ' HD12 ' A' ' 15' ' ' ILE . 2.8 tt0 -61.77 -45.95 91.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.19 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -40.36 88.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.343 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.89 -49.45 77.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.677 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.623 HG21 ' HG3' ' B' ' 71' ' ' GLN . 3.5 mt -66.1 -42.88 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.056 0.455 . . . . 0.0 110.456 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.97 -41.24 96.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.367 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -39.0 76.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.251 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.803 ' HB3' HG22 ' B' ' 67' ' ' ILE . 0.4 OUTLIER -60.45 -43.53 96.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.509 179.655 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.45 ' HG2' HD13 ' B' ' 67' ' ' ILE . 1.2 tm0? -65.87 -39.85 91.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.621 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -60.3 -41.49 93.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.567 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.8 mtm -65.27 -41.36 94.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' HG2' HG23 ' B' ' 60' ' ' ILE . 22.8 ttpp -66.24 -44.04 84.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.802 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -39.56 80.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.737 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.15 -40.55 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -63.99 -38.01 89.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.6 ' CD ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -69.84 -48.52 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.81 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.77 -31.94 71.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.729 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.49 -37.85 73.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.397 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' B' ' 56' ' ' GLN . 0.3 OUTLIER -70.88 -55.93 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.384 179.425 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -179.03 122.87 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.303 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.26 -29.22 46.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.011 0.434 . . . . 0.0 110.032 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.75 -29.12 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.729 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 36' ' ' LYS . 70.3 m -50.43 -25.04 3.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.614 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.6 HD22 ' CD ' ' A' ' 26' ' ' GLU . 3.3 mm? -58.7 -27.14 64.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.433 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -72.96 -53.72 10.51 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.675 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -65.66 -32.1 73.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.682 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.614 ' HG ' HD21 ' B' ' 61' ' ' LEU . 7.2 tt -69.1 -41.54 77.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -66.89 -50.01 63.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.65 -35.87 77.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -41.7 93.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.754 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' HD12 ' B' ' 61' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.911 0.386 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.74 -31.94 67.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.566 ' HB2' HD21 ' A' ' 29' ' ' LEU . 4.0 mt-30 -80.54 -31.79 36.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.443 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.55 HG12 HD12 ' A' ' 37' ' ' LEU . 17.3 t -68.19 -32.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.631 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.572 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.7 OUTLIER -63.54 -35.97 82.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -31.34 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.816 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.462 HG23 ' HG2' ' A' ' 22' ' ' LYS . 40.0 mm -59.62 -34.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.614 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.7 mm? -59.72 -41.08 90.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -42.22 98.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.498 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.65 -34.67 78.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -57.92 -38.92 76.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.668 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -71.13 -36.17 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.609 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.23 -40.05 96.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.572 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.803 HG22 ' HB3' ' A' ' 18' ' ' LEU . 5.7 pt -73.56 -33.61 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.788 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.545 ' N ' HG13 ' B' ' 67' ' ' ILE . 3.2 mt-10 -72.03 -42.8 65.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.57 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.62 -40.9 89.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.0 110.409 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.518 HD22 HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -72.94 -28.16 62.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.499 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.623 ' HG3' HG21 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -74.3 -31.9 62.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -44.76 92.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 7.1 ttm -68.11 -32.04 72.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.778 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.551 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -72.84 -47.05 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.007 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.33 -35.08 71.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -71.67 -32.46 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.461 ' HB3' HD11 ' A' ' 8' ' ' ILE . 37.9 mt-30 -72.69 -46.56 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.657 ' HB2' HG21 ' A' ' 8' ' ' ILE . 8.9 tm-20 -66.79 -32.86 74.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.736 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.43 -47.96 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 57.5 p -62.78 -29.48 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -64.35 -66.01 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.695 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.635 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 174.88 119.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.543 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -29.82 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.314 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.44 83.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.894 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 58.6 m -50.83 -25.6 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.646 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.583 HD13 ' CD ' ' B' ' 78' ' ' GLU . 9.5 tp -66.15 -29.15 69.39 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.444 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -52.35 60.72 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -68.1 -30.5 69.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.212 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.64 HD11 HD13 ' A' ' 9' ' ' LEU . 8.8 tt -64.56 -34.88 79.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.674 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -35.66 77.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.87 -44.37 93.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -31.67 65.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.629 0.252 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.446 ' HA ' ' HG2' ' A' ' 6' ' ' GLU . 6.0 tmtt? -70.49 -38.58 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -38.37 62.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 1.025 HG12 HD21 ' B' ' 89' ' ' LEU . 3.0 t -67.57 -44.91 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.71 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 3' ' ' LYS . 11.1 pt-20 -61.11 -39.3 89.47 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -48.93 77.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.885 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.901 HG21 ' HB2' ' B' ' 78' ' ' GLU . 2.4 mm -60.26 -37.1 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.168 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.706 ' CD1' HD13 ' B' ' 89' ' ' LEU . 0.6 OUTLIER -59.58 -40.58 87.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.149 179.511 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -46.26 90.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.773 HD23 ' CD2' ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.14 -37.48 85.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.846 178.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -59.34 -40.88 87.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.547 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -64.76 -46.72 80.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.435 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.65 -41.72 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.571 HG21 ' HG2' ' B' ' 71' ' ' GLN . 10.1 mt -67.5 -49.58 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -61.08 -34.48 74.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.369 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.26 -44.15 92.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.43 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.72 HD23 HD21 ' B' ' 63' ' ' LEU . 0.5 OUTLIER -60.15 -40.98 91.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.545 179.603 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.49 ' N ' HD12 ' B' ' 67' ' ' ILE . 2.6 tt0 -62.67 -46.09 89.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -60.29 -45.75 92.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.3 mtm -64.42 -39.44 93.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.606 ' HB2' HD22 ' B' ' 63' ' ' LEU . 22.8 ttpp -68.84 -45.4 71.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.7 -38.4 86.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.32 -32.31 72.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.543 ' HB3' HD12 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -72.29 -42.76 65.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HB2' HG21 ' B' ' 60' ' ' ILE . 4.6 tp10 -65.45 -38.21 89.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.9 mt -60.37 -30.23 69.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.737 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -54.76 -39.75 68.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.377 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.909 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.3 OUTLIER -74.41 -57.2 4.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.331 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.55 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.0 OUTLIER 167.52 125.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.085 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -25.87 26.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.86 0.362 . . . . 0.0 110.388 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.75 -31.44 71.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.55 ' OG ' HG23 ' A' ' 30' ' ' THR . 3.6 m -50.51 -25.22 3.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.57 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD23 HD22 ' A' ' 37' ' ' LEU . 9.6 mt -60.29 -27.01 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.727 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -53.07 61.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.001 0.429 . . . . 0.0 109.9 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.04 -31.65 70.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.799 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.775 HD12 HG12 ' B' ' 57' ' ' VAL . 4.3 tt -63.91 -38.94 92.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.8 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -50.6 31.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -33.86 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -47.26 61.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.854 ' HG3' HD22 ' B' ' 61' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.771 0.319 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -57.4 -33.73 68.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.909 ' HB3' HD11 ' A' ' 29' ' ' LEU . 19.6 mt-30 -81.83 -32.29 31.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.775 HG12 HD12 ' A' ' 37' ' ' LEU . 46.0 t -74.28 -32.76 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.774 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.675 ' HA ' HD12 ' B' ' 61' ' ' LEU . 15.6 mt-10 -71.01 -35.57 72.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.54 -36.39 76.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' A' ' 25' ' ' GLN . 44.0 mm -66.61 -42.23 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.048 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.854 HD22 ' HG3' ' A' ' 41' ' ' ARG . 6.3 mt -59.33 -34.33 72.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -59.43 -33.5 71.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.362 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.72 HD21 HD23 ' A' ' 18' ' ' LEU . 1.7 tt -68.38 -34.25 75.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.35 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.5 ' HA ' HG22 ' B' ' 67' ' ' ILE . 21.1 tt0 -55.89 -35.76 66.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -38.49 86.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -69.36 -49.41 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' B' ' 64' ' ' GLU . 7.8 tt -66.0 -34.02 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.64 -39.54 94.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -66.61 -41.0 89.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.787 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.773 ' CD2' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.79 -29.39 63.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.571 ' HG2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -72.08 -40.24 68.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -43.06 99.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 22.7 ttm -67.41 -32.08 72.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.553 ' HE3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -70.64 -47.91 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.98 -36.26 81.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.082 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -70.22 -32.73 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -73.95 -46.75 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.901 ' HB2' HG21 ' A' ' 8' ' ' ILE . 10.1 tm-20 -68.23 -31.36 70.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.786 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tt -78.16 -21.37 50.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.4 t -79.51 -46.93 16.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.684 HD12 ' N ' ' B' ' 82' ' ' THR . 1.8 pp -63.96 -55.13 24.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.684 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.2 OUTLIER 177.12 119.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -26.83 62.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.736 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.22 -33.17 74.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 19.5 m -50.7 -25.11 3.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.614 HD12 HD12 ' B' ' 89' ' ' LEU . 7.8 tp -65.56 -29.17 69.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.712 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -72.59 -35.85 68.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.762 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.25 -30.53 68.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.777 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 1.025 HD21 HG12 ' A' ' 5' ' ' VAL . 52.2 mt -62.7 -33.54 75.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -61.82 -52.22 65.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -31.29 72.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -39.29 33.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.75 0.309 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -28.29 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.808 ' O ' HD13 ' A' ' 8' ' ' ILE . 22.1 mm-40 -78.35 -38.61 41.6 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.087 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.882 HG13 HD12 ' B' ' 89' ' ' LEU . 38.8 t -70.58 -33.08 51.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.078 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.36 -53.59 34.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.162 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.84 -32.44 70.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.155 0.502 . . . . 0.0 110.1 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.808 HD13 ' O ' ' A' ' 4' ' ' GLN . 1.3 mp -65.79 -48.04 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.25 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.539 HD11 ' HG ' ' B' ' 89' ' ' LEU . 1.1 mp -57.22 -40.67 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -48.55 81.26 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.197 0.522 . . . . 0.0 109.759 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.635 HD21 HD23 ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.14 -34.41 76.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.662 178.849 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.7 OUTLIER -57.96 -44.05 86.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.03 179.13 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.21 -43.72 98.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.955 179.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -44.45 83.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.376 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.541 HD13 ' HE3' ' B' ' 74' ' ' LYS . 5.0 mt -71.53 -38.02 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.691 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.15 -36.0 81.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.42 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -42.0 74.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.663 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.501 HD23 HD21 ' B' ' 63' ' ' LEU . 0.4 OUTLIER -71.0 -40.66 71.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.773 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -68.31 -34.51 76.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -68.62 -45.87 70.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.1 ptp -63.35 -37.48 87.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -64.02 -46.62 83.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.2 -39.69 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -37.69 78.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -66.61 -41.12 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.745 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.49 -45.01 77.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.7 -38.23 87.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.691 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -57.71 -32.72 67.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.659 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.868 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -73.9 -56.76 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.442 179.683 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 177.51 121.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.341 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.52 -29.31 50.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.949 0.404 . . . . 0.0 110.172 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.19 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.845 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.0 m -50.59 -25.04 3.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.606 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.745 HD22 ' OE2' ' A' ' 26' ' ' GLU . 1.4 mm? -58.5 -28.17 65.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.424 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -46.57 71.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.604 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -36.9 76.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.64 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.696 ' HG ' HD21 ' B' ' 61' ' ' LEU . 1.4 tt -66.61 -37.74 85.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.844 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -40.61 69.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.48 -36.01 81.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -79.28 -31.05 43.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -36.24 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.868 ' HB3' HD11 ' A' ' 29' ' ' LEU . 11.2 mm-40 -81.12 -32.63 33.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.553 ' CG1' HD12 ' A' ' 37' ' ' LEU . 26.3 t -74.0 -32.81 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.774 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.57 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.5 OUTLIER -62.92 -36.32 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.76 179.733 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.68 -31.63 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mm -60.94 -33.52 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.776 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.696 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.8 mm? -61.29 -45.4 94.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.679 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.42 96.95 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.689 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.501 HD21 HD23 ' A' ' 18' ' ' LEU . 1.4 tt -62.34 -34.56 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' B' ' 67' ' ' ILE . 1.1 tm-20 -58.72 -35.93 73.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.854 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -48.44 80.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -49.21 78.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.645 HD13 ' O ' ' B' ' 67' ' ' ILE . 0.0 OUTLIER -67.69 -34.49 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.1 -34.48 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.682 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -62.37 -50.02 73.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.719 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.635 HD23 HD21 ' A' ' 11' ' ' LEU . 1.4 mt -64.17 -39.51 94.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.696 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -39.49 94.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -47.61 81.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 4.1 ptp -67.1 -32.14 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.479 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.541 ' HE3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -65.89 -49.92 66.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.506 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.12 -48.83 77.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.08 -32.06 73.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.542 ' HB3' HD11 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -63.68 -46.75 84.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.708 -179.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.517 ' HG2' HG21 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -74.12 -36.45 64.2 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.597 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.779 ' O ' HD23 ' B' ' 79' ' ' LEU . 3.6 tt -74.32 -17.5 60.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m -81.12 -46.54 14.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.2 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.632 HD12 ' N ' ' B' ' 82' ' ' THR . 1.2 pp -65.83 -58.07 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.963 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.685 HG23 ' H ' ' B' ' 85' ' ' SER . 7.1 t 179.04 121.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.865 0.364 . . . . 0.0 110.775 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.78 -25.61 29.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.07 -30.78 70.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.599 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.685 ' H ' HG23 ' B' ' 82' ' ' THR . 0.6 OUTLIER -50.57 -25.36 4.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.948 0.404 . . . . 0.0 110.497 179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.59 -29.19 64.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.401 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -70.34 -61.64 1.69 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.421 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -62.45 -30.41 71.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.405 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.882 HD12 HG13 ' A' ' 5' ' ' VAL . 9.9 tt -65.05 -36.44 84.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.895 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -30.86 70.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -33.08 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -77.01 -31.84 56.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.606 0.241 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -64.02 -31.41 72.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.76 0.314 . . . . 0.0 111.169 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.901 ' HB3' HD11 ' B' ' 81' ' ' LEU . 2.7 mt-30 -79.99 -44.27 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.078 0.466 . . . . 0.0 110.039 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.785 HG12 HD12 ' B' ' 89' ' ' LEU . 6.6 t -65.82 -35.31 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.096 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.35 -40.05 74.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.008 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -56.3 -46.75 79.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.341 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.636 HG21 ' HG2' ' B' ' 78' ' ' GLU . 6.0 mm -64.32 -40.34 88.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.464 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.923 HD13 HD11 ' B' ' 89' ' ' LEU . 1.0 OUTLIER -56.28 -44.82 80.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.881 179.433 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -41.33 94.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -62.62 -37.12 85.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.373 178.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.425 ' O ' HG12 ' A' ' 15' ' ' ILE . 2.9 tt0 -57.88 -42.65 85.04 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.854 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -32.99 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.586 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.72 -47.16 64.1 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.796 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.807 HG22 HD22 ' B' ' 70' ' ' LEU . 12.8 pt -67.71 -35.68 73.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.959 0.409 . . . . 0.0 110.537 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -45.49 71.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -40.49 94.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.249 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.916 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -69.64 -36.35 76.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.39 179.593 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HG3' HG21 ' B' ' 67' ' ' ILE . 1.5 tt0 -73.02 -36.13 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.643 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -66.89 -37.63 84.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.616 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.4 ptp -73.75 -33.19 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.425 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HB2' HD22 ' B' ' 63' ' ' LEU . 25.4 ttpp -72.47 -46.62 54.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.731 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -38.06 85.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.765 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -66.87 -37.89 85.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HB3' HD12 ' B' ' 60' ' ' ILE . 9.3 tt0 -66.15 -45.43 81.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.654 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.764 ' HB2' HG21 ' B' ' 60' ' ' ILE . 14.1 tt0 -68.55 -45.41 72.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.77 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.47 -32.6 74.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.52 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -59.53 -39.23 83.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.467 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 30' ' ' THR . 0.3 OUTLIER -66.67 -49.04 67.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.417 179.508 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 173.8 121.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.348 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -54.6 -28.77 48.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.964 0.411 . . . . 0.0 110.097 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.5 -28.99 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.813 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.5 m -50.31 -24.98 3.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.744 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 34' ' ' LEU . 2.4 mm? -59.88 -29.22 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.368 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -52.75 15.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.484 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -64.36 -37.02 86.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.757 HD11 HD13 ' B' ' 61' ' ' LEU . 1.7 tt -65.38 -40.58 93.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -50.9 70.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -62.68 -36.55 83.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.808 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -65.24 -31.72 73.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.811 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.752 ' HG2' HD21 ' B' ' 61' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.744 0.307 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -38.49 80.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.601 ' HB3' HD11 ' A' ' 29' ' ' LEU . 2.5 mt-30 -80.14 -29.2 38.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.46 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.641 HG12 HD12 ' A' ' 37' ' ' LEU . 46.2 t -74.43 -32.83 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.793 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.18 -32.63 73.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.777 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.31 -31.55 72.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.764 HG21 ' HB2' ' A' ' 26' ' ' GLU . 22.9 mm -65.08 -40.67 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.757 HD13 HD11 ' A' ' 37' ' ' LEU . 1.4 tp -58.9 -44.84 91.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -61.5 -34.8 76.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 110.27 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.593 HD23 HD11 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -70.56 -34.5 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.329 179.395 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -57.3 -35.97 70.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.61 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -55.55 -35.01 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.59 -37.08 65.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.712 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.916 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.1 mm -76.14 -33.94 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.324 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.34 -43.07 74.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.486 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.49 -33.04 72.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.428 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.807 HD22 HG22 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -71.49 -43.16 67.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.433 179.589 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.529 ' HG3' HD12 ' A' ' 15' ' ' ILE . 1.7 mt-30 -62.4 -44.14 97.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.811 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -47.47 86.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.798 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 1.7 tpp -65.16 -32.01 73.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.332 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.646 ' HE3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -68.02 -52.42 35.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.833 179.767 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.66 -40.65 95.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.779 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -63.19 -32.28 73.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.27 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -46.72 54.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.325 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.636 ' HG2' HG21 ' A' ' 8' ' ' ILE . 8.2 mm-40 -69.53 -29.31 66.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.893 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.72 -44.03 64.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.525 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -67.05 -27.64 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.631 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.901 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -68.91 -69.57 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.757 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.677 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER 176.99 120.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.593 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.71 -28.67 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.43 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.41 74.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.95 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 74.8 m -50.54 -25.3 3.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.782 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' B' ' 86' ' ' LEU . 13.5 mt -64.72 -30.32 71.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.562 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.36 -56.79 12.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.375 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.84 -28.7 67.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.41 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.923 HD11 HD13 ' A' ' 9' ' ' LEU . 8.3 tt -70.54 -34.11 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -34.01 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.71 -43.1 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -41.37 95.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -179.933 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -38.77 91.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -74.47 -39.23 62.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.831 ' CG1' HD12 ' B' ' 89' ' ' LEU . 3.2 t -66.08 -37.3 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.069 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.74 -42.65 95.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.006 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -48.07 78.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.388 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.844 HG21 ' HB2' ' B' ' 78' ' ' GLU . 3.1 mm -60.92 -35.02 61.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.532 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.614 HD13 HD11 ' B' ' 89' ' ' LEU . 0.6 OUTLIER -60.48 -42.65 96.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.238 179.616 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -49.07 78.96 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -62.35 -34.38 76.55 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.541 178.596 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.03 -44.17 97.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.06 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -59.33 -44.11 92.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -48.09 78.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.627 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.603 HG13 HD22 ' B' ' 70' ' ' LEU . 3.5 mt -69.17 -36.44 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.404 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -41.33 98.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.7 -32.47 71.07 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.054 0.454 . . . . 0.0 109.925 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.52 HD12 ' HB ' ' B' ' 67' ' ' ILE . 0.1 OUTLIER -62.38 -50.54 71.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.532 179.413 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -63.71 -44.67 92.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -36.16 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.546 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.1 mtm -73.44 -34.31 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.49 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -68.13 -44.64 75.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.842 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 27' ' ' LEU . 26.5 mt-10 -67.87 -39.88 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -35.41 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.474 ' HB3' HD11 ' B' ' 60' ' ' ILE . 27.0 mt-30 -72.86 -43.66 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.726 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.26 -36.25 83.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.623 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 23' ' ' GLU . 4.2 mm? -77.76 -18.92 55.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -78.72 -46.03 19.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.968 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.636 ' O ' HG23 ' A' ' 30' ' ' THR . 1.0 OUTLIER -64.19 -44.3 92.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 0.0 110.517 179.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 175.63 119.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.688 179.609 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HG2' ' CD1' ' A' ' 27' ' ' LEU . 2.6 mt-10 -56.86 -29.81 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.018 0.437 . . . . 0.0 110.235 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.69 69.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.41 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.495 ' CB ' HG22 ' B' ' 57' ' ' VAL . 4.8 m -50.43 -25.15 3.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.914 0.388 . . . . 0.0 110.677 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.726 HD22 ' OE2' ' A' ' 26' ' ' GLU . 2.8 mm? -60.31 -30.81 69.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.596 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -68.27 -56.2 9.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.566 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -63.56 -33.02 74.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.422 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.762 ' CG ' HD21 ' B' ' 61' ' ' LEU . 10.3 tt -67.07 -44.49 79.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.849 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -69.29 -33.51 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.788 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -75.57 -31.12 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -71.14 -41.71 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.84 0.352 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -65.22 -28.97 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.565 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -81.94 -29.98 31.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.776 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.547 ' CG1' HD12 ' A' ' 37' ' ' LEU . 5.8 t -73.86 -35.16 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.993 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.74 -34.95 76.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.64 -33.43 74.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.656 HG21 ' HB2' ' A' ' 26' ' ' GLU . 33.1 mm -70.67 -46.23 70.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.762 HD21 ' CG ' ' A' ' 37' ' ' LEU . 29.3 mt -58.17 -31.35 67.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -35.1 74.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.253 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mt -65.93 -34.1 77.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.452 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.436 ' HA ' HG22 ' B' ' 67' ' ' ILE . 4.3 tt0 -55.86 -35.82 66.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.76 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -36.61 83.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.06 -49.34 52.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.72 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.52 ' HB ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -68.09 -34.08 64.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.33 -42.16 65.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.1 -36.89 80.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.603 HD22 HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -72.75 -27.87 62.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.827 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -73.61 -28.6 61.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -65.47 -43.13 91.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -32.13 68.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.077 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.581 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -72.03 -38.71 69.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -71.14 -44.29 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -65.62 -32.24 73.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.477 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -68.52 -46.71 68.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.844 ' HB2' HG21 ' A' ' 8' ' ' ILE . 1.3 tt0 -69.66 -29.04 66.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.791 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.85 -21.19 44.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.746 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 -43.33 33.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.006 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.679 HD12 ' N ' ' B' ' 82' ' ' THR . 2.6 pp -64.99 -46.69 80.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.679 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 174.79 119.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.749 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.48 -30.29 64.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.286 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -29.55 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.019 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.632 ' OG ' HD11 ' B' ' 81' ' ' LEU . 54.0 p -50.53 -25.2 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.744 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.775 HD22 ' OE2' ' B' ' 78' ' ' GLU . 1.4 mm? -61.85 -30.08 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.64 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -50.22 59.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.56 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -69.26 -30.44 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.42 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.831 HD12 ' CG1' ' A' ' 5' ' ' VAL . 3.4 tt -67.37 -34.79 78.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.959 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -71.67 -30.38 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -69.3 -45.48 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -30.64 71.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.033 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.91 -32.78 71.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -76.91 -44.28 32.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.039 0.447 . . . . 0.0 109.812 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' B' ' 85' ' ' SER . 6.2 t -66.22 -37.51 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.186 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.8 -43.14 97.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.916 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -46.44 84.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.37 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.595 HG21 ' CG ' ' B' ' 78' ' ' GLU . 2.2 mm -61.05 -40.03 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.527 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.09 -41.65 79.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.326 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -44.08 97.13 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -62.25 -34.61 76.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.663 179.009 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -62.33 -38.97 91.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.84 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -33.31 75.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.07 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.39 -41.23 69.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.703 HD13 ' HA ' ' B' ' 71' ' ' GLN . 12.2 mt -71.18 -47.74 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.68 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -34.41 77.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.579 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.35 -42.24 83.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.472 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.477 ' CD2' HD23 ' B' ' 63' ' ' LEU . 0.2 OUTLIER -63.35 -39.84 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.458 179.623 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -46.03 92.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.583 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -58.8 -42.36 88.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.632 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 tpp -64.4 -32.42 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -52.4 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.669 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.77 -30.6 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.656 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.92 -35.66 67.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -73.3 -38.33 65.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.775 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -38.43 64.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.797 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.3 mt -66.7 -31.84 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.771 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -58.94 -40.51 84.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.602 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -70.31 -60.69 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.536 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.533 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.1 t 173.62 126.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.445 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -54.62 -25.78 28.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.985 0.422 . . . . 0.0 110.309 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.48 75.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.17 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.559 ' HB3' HG21 ' B' ' 57' ' ' VAL . 3.7 m -50.51 -25.29 3.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.718 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.18 -26.76 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.561 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -58.63 -53.7 55.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.396 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -68.97 -31.59 70.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.332 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.703 HD12 HG12 ' B' ' 57' ' ' VAL . 8.5 tt -67.89 -35.64 78.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.65 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.17 -44.99 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.771 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.49 -31.58 69.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -43.93 57.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.644 0.259 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -59.09 -43.03 91.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 111.063 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.602 ' HB3' HD11 ' A' ' 29' ' ' LEU . 7.7 mt-30 -78.73 -30.19 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.343 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.703 HG12 HD12 ' A' ' 37' ' ' LEU . 26.2 t -74.2 -32.73 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.753 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.454 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -60.8 -38.15 84.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.682 179.766 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -29.52 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.727 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.64 -36.12 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.553 HD11 ' HG ' ' A' ' 37' ' ' LEU . 3.6 mm? -63.65 -34.2 77.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -63.79 -40.03 95.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -62.36 -34.52 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.406 ' HA ' HG22 ' B' ' 67' ' ' ILE . 63.6 tt0 -56.68 -47.26 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -35.11 75.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -49.51 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.572 HD13 ' O ' ' B' ' 67' ' ' ILE . 0.0 OUTLIER -68.29 -34.62 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.18 -42.33 75.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.573 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.59 -38.79 77.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.638 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.402 ' CD2' ' CD2' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -64.83 -29.72 70.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.694 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.703 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -72.57 -37.24 68.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -59.37 -42.11 90.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.8 ttm -63.87 -32.04 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.737 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.406 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.31 -52.38 54.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.06 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.55 -39.84 77.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -70.82 -32.35 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.691 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.47 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -73.68 -46.7 44.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.743 ' OE2' HD22 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -73.21 -32.67 64.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.732 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.6 tt -80.36 -17.96 50.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -82.11 -42.11 19.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.727 HD11 ' OE1' ' B' ' 78' ' ' GLU . 2.1 pp -66.51 -49.21 67.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.723 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.699 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER 179.81 119.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 179.738 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.73 -29.09 66.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.437 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.39 -30.71 70.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.154 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.473 ' HB3' HG22 ' A' ' 5' ' ' VAL . 48.3 m -50.65 -25.19 3.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.743 HD22 ' OE2' ' B' ' 78' ' ' GLU . 2.7 mm? -61.11 -30.78 70.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.42 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.49 -55.31 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.289 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -65.55 -31.16 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.238 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.589 ' O ' HD23 ' B' ' 89' ' ' LEU . 8.3 tt -63.14 -38.13 89.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.619 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -71.75 -42.73 66.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.53 -44.22 94.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.761 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -38.77 77.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.75 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 . . . . . 0 CA--C 1.529 0.171 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -69.52 -46.31 66.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.746 0.308 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.794 ' HB2' HD11 ' B' ' 81' ' ' LEU . 6.1 mm-40 -73.99 -38.94 63.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.922 HG12 HD21 ' B' ' 89' ' ' LEU . 2.3 t -65.19 -42.21 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.912 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -38.16 88.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.689 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.22 -45.38 87.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.108 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' B' ' 78' ' ' GLU . 5.4 mm -61.18 -38.91 80.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.509 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.836 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -56.37 -48.83 76.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.477 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -44.51 94.92 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.553 HD21 HD23 ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.43 -34.6 77.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.864 179.039 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.34 -44.48 96.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.189 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -60.16 -42.75 95.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.545 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.2 -49.3 78.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.419 HD11 ' HB2' ' B' ' 74' ' ' LYS . 5.3 mt -65.22 -44.3 95.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.602 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.47 -37.12 74.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.631 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.71 -41.93 74.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.574 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -67.3 -36.38 81.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.719 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -65.85 -46.49 78.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.654 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -34.37 75.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.4 tpp -67.61 -41.77 83.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -65.7 -48.93 70.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.738 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -63.66 -40.55 97.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.696 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -65.42 -32.48 74.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -72.0 -46.56 56.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.662 ' OE2' HG22 ' B' ' 57' ' ' VAL . 1.1 tm-20 -60.54 -34.53 74.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.498 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -22.71 57.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.615 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 t -74.6 -48.08 28.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 30' ' ' THR . 1.5 pp -67.0 -46.36 74.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.836 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 174.62 119.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.827 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.75 -34.92 71.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.182 0.515 . . . . 0.0 109.659 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.55 74.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.732 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.418 ' CB ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -50.62 -25.2 3.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.739 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.07 -26.2 68.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.652 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -55.69 -55.57 30.68 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.909 0.385 . . . . 0.0 110.575 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -64.44 -30.17 71.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.332 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.64 ' HG ' HD11 ' B' ' 61' ' ' LEU . 10.0 tt -64.51 -43.29 94.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.58 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -67.34 -39.14 85.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.599 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -72.82 -31.44 64.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.676 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 tpt85 -68.28 -39.43 82.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.773 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.833 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.3 -27.92 68.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -80.28 -30.79 38.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.725 HG12 ' CD2' ' B' ' 61' ' ' LEU . 20.1 t -70.26 -38.91 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.78 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.54 -33.59 60.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -28.65 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.402 HG21 ' HG2' ' A' ' 26' ' ' GLU . 27.1 mm -76.7 -35.92 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.725 ' CD2' HG12 ' B' ' 57' ' ' VAL . 3.1 mm? -62.57 -36.56 83.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.59 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -61.3 -35.07 76.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.653 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.53 -34.73 76.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' B' ' 67' ' ' ILE . 1.5 tm-20 -58.53 -35.86 72.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -37.53 78.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.682 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -69.6 -49.26 55.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.45 HD12 ' HB3' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -60.94 -34.03 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -48.89 78.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.48 -38.8 90.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.553 HD23 HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.79 -35.94 67.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.799 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.46 -36.23 65.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -66.96 -40.69 87.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 18.4 ttm -66.91 -31.97 72.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.419 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -70.78 -50.95 30.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.101 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.471 ' OE2' HD11 ' B' ' 79' ' ' LEU . 3.7 tt0 -67.59 -32.09 72.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -71.92 -33.09 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.08 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.427 ' HB3' HD12 ' A' ' 8' ' ' ILE . 9.1 tt0 -74.03 -46.81 41.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.135 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' ' 8' ' ' ILE . 1.7 tp10 -70.04 -29.1 66.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.717 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.471 HD11 ' OE2' ' B' ' 75' ' ' GLU . 7.6 mt -68.46 -40.92 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.746 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -65.07 -31.13 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.718 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.794 HD11 ' HB2' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -72.32 -70.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.817 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.739 HG23 ' HB2' ' B' ' 85' ' ' SER . 2.0 t 176.57 125.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.662 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -54.67 -26.48 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.362 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.49 -31.99 72.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.848 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.739 ' HB2' HG23 ' B' ' 82' ' ' THR . 0.2 OUTLIER -50.54 -25.16 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.744 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.48 HD23 HD12 ' B' ' 89' ' ' LEU . 35.1 mt -62.22 -28.41 69.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.587 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -43.19 78.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.547 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -62.82 -27.34 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.723 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.922 HD21 HG12 ' A' ' 5' ' ' VAL . 34.7 mt -61.2 -43.15 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.69 -53.9 52.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.02 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.25 -35.42 75.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -71.7 -47.63 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 m120 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.761 0.315 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -60.3 -28.1 67.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.912 ' HB3' HD11 ' B' ' 81' ' ' LEU . 42.3 mt-30 -80.1 -44.88 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.098 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.457 ' O ' HD13 ' A' ' 9' ' ' LEU . 21.3 t -66.67 -33.95 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.279 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -68.76 -46.55 68.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.227 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.29 -36.37 73.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.235 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.816 HD11 ' CB ' ' B' ' 77' ' ' GLN . 11.5 mm -65.16 -45.03 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.571 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.809 HD11 ' CG ' ' B' ' 89' ' ' LEU . 5.8 mp -56.16 -45.88 79.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.521 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -59.94 -42.29 93.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.448 HD23 ' CD2' ' B' ' 70' ' ' LEU . 0.1 OUTLIER -63.58 -38.72 92.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.614 178.713 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.88 -39.3 74.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.035 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -65.65 -43.94 87.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.906 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.62 -43.26 99.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.398 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.683 HD12 ' HD3' ' B' ' 74' ' ' LYS . 24.3 mt -66.11 -51.48 59.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -34.52 71.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.57 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.71 -38.25 83.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.658 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.72 -50.39 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.656 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.53 -37.72 82.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.625 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -59.45 -47.35 85.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 43.7 mtm -63.69 -32.15 73.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -62.75 -49.48 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.11 -38.92 92.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -66.23 -33.15 75.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.659 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.84 -46.13 46.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.852 ' OE2' HD13 ' A' ' 37' ' ' LEU . 3.8 tt0 -63.04 -31.63 72.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.725 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -22.35 44.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.499 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -45.51 47.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 30' ' ' THR . 1.0 OUTLIER -65.23 -45.41 84.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.358 . . . . 0.0 110.615 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 174.43 119.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.7 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.75 -28.82 61.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.78 70.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.2 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.458 ' OG ' HG22 ' B' ' 57' ' ' VAL . 27.3 m -50.59 -25.1 3.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.588 HD22 ' OE2' ' A' ' 26' ' ' GLU . 4.2 mm? -63.49 -29.31 70.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.652 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -61.73 1.69 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -31.75 71.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.543 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.852 HD13 ' OE2' ' A' ' 26' ' ' GLU . 7.6 tt -63.79 -40.46 96.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.524 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -41.01 84.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.764 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -37.51 77.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.4 ttt-85 -65.65 -42.17 91.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.765 0.316 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -31.81 72.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.727 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.41 ' O ' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -81.85 -30.87 31.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.717 179.725 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 37' ' ' LEU . 2.6 t -75.93 -33.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -38.22 86.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.774 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -33.17 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.662 HG21 ' HB2' ' A' ' 26' ' ' GLU . 33.0 mm -70.66 -44.73 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.743 HD13 HD11 ' A' ' 37' ' ' LEU . 1.7 tp -61.27 -39.42 90.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.74 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -40.13 93.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.465 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.61 -34.31 76.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.679 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' B' ' 67' ' ' ILE . 73.4 tt0 -55.92 -35.88 67.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -36.2 81.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.81 -49.6 44.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -67.55 -34.12 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.513 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -63.7 -43.67 95.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.81 -32.38 72.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.347 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.66 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -72.11 -40.29 68.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.471 179.673 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.679 ' HA ' HD13 ' A' ' 15' ' ' ILE . 23.6 tt0 -68.92 -46.62 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.795 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -34.25 74.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 16.4 ttt -69.79 -42.67 73.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.738 ' HG2' HG23 ' A' ' 8' ' ' ILE . 1.6 ttpp -69.05 -43.28 75.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.51 -30.46 71.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -33.49 66.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.037 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.816 ' CB ' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.9 -46.64 62.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -64.55 -40.17 95.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.631 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -47.19 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.553 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -61.88 -32.53 72.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.333 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.912 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -61.64 -63.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.577 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.837 HG23 ' HB2' ' B' ' 85' ' ' SER . 1.4 t 170.62 123.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.331 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -54.3 -27.54 36.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.422 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.58 -36.69 81.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.895 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.837 ' HB2' HG23 ' B' ' 82' ' ' THR . 0.3 OUTLIER -50.59 -25.16 3.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.644 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.673 HD12 HD13 ' B' ' 89' ' ' LEU . 3.6 tp -63.34 -29.38 70.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.427 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -53.82 48.4 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -63.23 -27.73 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.809 ' CG ' HD11 ' A' ' 9' ' ' LEU . 3.6 tt -60.87 -47.42 86.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.904 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -51.93 67.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.12 -35.44 69.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.026 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -79.48 -37.63 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.878 0.371 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -30.24 71.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.876 ' HB3' HD11 ' B' ' 81' ' ' LEU . 0.8 OUTLIER -78.55 -45.61 21.42 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.658 ' CG1' HD12 ' B' ' 89' ' ' LEU . 23.2 t -65.99 -35.15 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.83 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -65.21 -43.11 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.655 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.98 -42.28 79.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.918 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.673 HG21 ' HB2' ' B' ' 78' ' ' GLU . 45.9 mm -60.67 -42.32 91.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.19 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.495 HD11 HD21 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -60.61 -47.94 83.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.327 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -63.16 -44.1 96.43 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.556 HD21 ' CD2' ' B' ' 70' ' ' LEU . 0.9 OUTLIER -63.05 -34.34 77.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.758 178.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.475 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -60.66 -43.89 97.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.995 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -63.24 -37.58 87.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.673 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.57 -47.26 84.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.905 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.685 ' CG1' HD22 ' B' ' 70' ' ' LEU . 13.0 mt -64.32 -50.99 73.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.367 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -58.57 -34.44 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.377 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.73 -46.27 90.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.281 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.674 HD23 HD21 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -61.65 -35.89 79.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.392 179.445 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -54.44 21.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -61.81 -37.48 84.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mtm -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.566 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HG3' HG23 ' B' ' 60' ' ' ILE . 6.5 ttpm? -67.11 -49.04 66.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.45 -37.71 88.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.745 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -43.1 80.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.652 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.436 ' HB3' HD12 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -65.68 -45.09 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.674 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.726 ' OE2' HD22 ' A' ' 34' ' ' LEU . 4.2 tt0 -69.85 -43.23 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.587 HD11 ' HG2' ' A' ' 31' ' ' GLU . 4.7 tp -63.99 -28.95 70.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -45.08 92.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.526 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -62.34 -51.5 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.369 179.468 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.612 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.1 t 171.22 124.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.313 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.587 ' HG2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -54.47 -25.77 27.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.353 179.73 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.98 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.067 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.612 ' OG ' HG23 ' A' ' 30' ' ' THR . 6.0 m -50.44 -24.99 3.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.726 HD22 ' OE2' ' A' ' 26' ' ' GLU . 3.3 mm? -58.35 -29.37 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.474 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -46.18 51.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.304 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -38.77 72.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.381 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.776 ' CD2' HD21 ' B' ' 61' ' ' LEU . 9.7 tt -68.09 -36.05 79.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.913 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -66.5 -50.63 62.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -62.8 -31.63 72.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.27 -31.81 43.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.888 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.661 0.267 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -33.07 59.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.83 0.348 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.808 ' HB3' HD11 ' A' ' 29' ' ' LEU . 5.7 mm-40 -81.92 -32.16 31.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.51 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.624 HG12 HD12 ' A' ' 37' ' ' LEU . 40.8 t -73.95 -32.88 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.791 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -63.09 -38.41 91.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.68 -31.84 71.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.683 HG21 ' HB2' ' A' ' 26' ' ' GLU . 41.3 mm -69.01 -42.11 81.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.776 HD21 ' CD2' ' A' ' 37' ' ' LEU . 24.9 mt -57.28 -38.99 74.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -33.72 76.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.966 0.412 . . . . 0.0 110.227 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.674 HD21 HD23 ' A' ' 18' ' ' LEU . 7.8 tt -70.16 -34.52 73.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.409 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.412 ' O ' HG22 ' B' ' 67' ' ' ILE . 5.0 tt0 -57.15 -35.85 70.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.796 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -70.72 -31.2 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.779 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -44.57 55.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.745 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.439 HD13 ' O ' ' B' ' 67' ' ' ILE . 0.0 OUTLIER -67.41 -41.98 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' B' ' 65' ' ' LYS . 16.4 pt-20 -64.96 -40.18 94.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.842 0.353 . . . . 0.0 110.586 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.75 -32.52 71.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.685 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -71.31 -35.27 71.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.632 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.685 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -75.92 -37.03 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.767 179.636 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -67.06 -36.45 82.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 23.4 ptm -73.96 -33.26 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.561 ' HD3' HD12 ' A' ' 15' ' ' ILE . 2.6 ttpp -72.78 -42.97 63.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.49 -36.54 78.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.22 -32.25 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.661 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -69.35 -46.52 66.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.281 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.673 ' HB2' HG21 ' A' ' 8' ' ' ILE . 10.8 tt0 -65.29 -40.27 93.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.896 0.379 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 tp -66.13 -44.5 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.693 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.6 t -60.4 -31.11 70.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.534 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.876 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -63.57 -65.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.638 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.657 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 176.35 120.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.524 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -54.52 -27.97 41.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.427 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.87 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 68.6 m -50.61 -25.18 3.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.537 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.88 -30.51 70.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.446 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -67.21 -50.83 59.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.388 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -71.72 -29.73 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.402 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.658 HD12 ' CG1' ' A' ' 5' ' ' VAL . 10.1 tt -71.07 -34.1 70.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -65.47 -36.9 85.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.46 -43.68 98.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -66.72 -36.45 82.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.855 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.771 0.32 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -29.82 68.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -75.08 -42.73 56.16 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.584 ' CG1' HD12 ' B' ' 89' ' ' LEU . 3.1 t -64.46 -38.31 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.911 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.18 -42.4 99.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.642 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.88 -42.51 84.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.231 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.71 HG21 ' HB2' ' B' ' 78' ' ' GLU . 5.3 mm -61.45 -44.26 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.484 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.566 HD11 ' HG3' ' B' ' 93' ' ' ARG . 0.3 OUTLIER -56.44 -38.93 72.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.29 179.68 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -65.19 -46.68 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -62.37 -34.5 76.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.598 178.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -59.17 -45.33 91.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.103 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -43.04 99.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.418 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' O ' HD12 ' A' ' 18' ' ' LEU . 1.3 mt-10 -59.24 -49.46 77.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.704 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.2 mt -64.47 -48.96 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.48 -34.44 74.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -40.01 92.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.375 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.948 HD23 HD23 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -63.03 -41.83 99.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.531 179.613 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.455 ' N ' HD12 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -61.43 -45.62 93.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.675 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -42.44 99.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.674 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.0 mtm -65.39 -43.16 91.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.643 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.545 ' HG3' HG23 ' B' ' 60' ' ' ILE . 23.2 ttpp -65.98 -43.47 87.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.716 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -35.98 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.697 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -71.11 -40.08 71.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.757 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.402 ' HB3' HD11 ' B' ' 60' ' ' ILE . 5.0 mm100 -67.6 -36.23 80.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.553 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.95 -45.4 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.766 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.96 -35.56 81.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -59.36 -34.96 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.675 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.854 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -77.7 -59.85 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.799 179.792 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.32 122.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.5 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -54.49 -29.67 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.078 0.466 . . . . 0.0 110.087 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.67 -29.18 68.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.4 m -50.32 -25.16 3.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.538 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.553 HD22 ' OE2' ' A' ' 26' ' ' GLU . 3.3 mm? -57.24 -27.65 62.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.359 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -52.83 17.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.01 72.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.605 ' HG ' HD21 ' B' ' 61' ' ' LEU . 8.2 tt -69.09 -38.22 78.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -69.42 -40.1 77.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.39 -32.68 72.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -42.2 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.923 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.714 0.292 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -30.8 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.854 ' HB3' HD11 ' A' ' 29' ' ' LEU . 20.5 mp0 -81.43 -31.66 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.45 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.469 HG12 HD12 ' A' ' 37' ' ' LEU . 19.8 t -70.47 -32.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.492 ' HA ' HD23 ' B' ' 61' ' ' LEU . 4.1 tt0 -61.17 -44.31 97.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.47 -29.33 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.545 HG23 ' HG3' ' A' ' 22' ' ' LYS . 38.8 mm -60.24 -33.78 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.605 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.7 mm? -62.74 -39.81 95.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.663 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.77 -38.04 83.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.729 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.948 HD23 HD23 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -62.51 -34.65 77.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.677 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -35.93 82.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -37.56 73.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -69.23 -45.88 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.455 HD12 ' N ' ' A' ' 19' ' ' GLN . 11.8 tt -66.28 -35.31 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.12 -40.87 97.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -69.63 -41.17 75.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.483 HD23 HD21 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -69.55 -32.13 70.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -41.28 84.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -47.58 85.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.4 -37.78 78.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.424 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -64.41 -52.25 59.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.067 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -65.72 -38.74 90.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.064 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -33.58 70.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.416 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 27.3 mt-30 -74.13 -44.98 51.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.046 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.71 ' HB2' HG21 ' A' ' 8' ' ' ILE . 7.0 tm-20 -69.87 -32.35 70.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.813 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.46 -18.29 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.02 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -82.52 -41.62 19.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.749 HD12 ' N ' ' B' ' 82' ' ' THR . 2.7 pp -65.98 -49.97 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.992 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.749 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 172.67 119.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.782 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.53 -30.61 67.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.161 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.28 74.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.284 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' B' ' 82' ' ' THR . 0.3 OUTLIER -50.42 -25.12 3.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.656 HD23 HD13 ' B' ' 89' ' ' LEU . 8.2 mt -60.36 -29.04 68.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.492 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -59.32 -61.53 2.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.009 0.433 . . . . 0.0 110.322 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -27.37 69.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.127 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.656 HD13 HD23 ' B' ' 86' ' ' LEU . 9.4 tt -64.64 -39.62 94.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.766 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -53.64 52.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.3 -37.43 75.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -40.67 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.566 ' HG3' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.504 0.192 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -64.89 -46.94 79.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.227 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.621 ' HB2' HD21 ' B' ' 81' ' ' LEU . 54.2 mm-40 -74.05 -41.98 60.95 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.256 0.551 . . . . 0.0 109.581 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.899 HG12 HD21 ' B' ' 89' ' ' LEU . 34.2 t -63.75 -35.4 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.133 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.76 -42.63 90.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.758 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.61 -44.69 77.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.959 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.579 HG21 ' HB2' ' B' ' 78' ' ' GLU . 10.7 mm -61.27 -39.85 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.315 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.77 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -56.2 -41.85 76.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.21 179.522 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -45.35 93.33 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.649 HD23 ' CD2' ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.19 -36.2 81.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.706 178.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -61.74 -35.86 79.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.18 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 48.6 mttt -69.4 -36.32 76.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.035 179.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.57 -32.53 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.369 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.658 ' O ' HD11 ' B' ' 67' ' ' ILE . 61.3 mt -75.86 -50.07 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.337 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -59.79 -33.91 72.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.438 179.508 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.19 -51.45 37.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.737 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.778 ' HB3' HD13 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -62.37 -30.25 71.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.33 -40.67 67.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.746 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -68.62 -34.25 75.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.655 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.0 tpp -67.43 -47.5 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -61.87 -41.97 98.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.791 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.6 -40.93 89.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -67.01 -40.4 87.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -61.58 -42.19 98.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.794 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -70.92 -44.15 66.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.684 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.97 -31.49 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.631 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -59.23 -37.35 77.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.3 OUTLIER -72.82 -72.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.518 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.43 122.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.476 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.51 -28.94 48.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.958 0.408 . . . . 0.0 110.071 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.24 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.825 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.666 ' HB3' HG21 ' B' ' 57' ' ' VAL . 75.0 m -50.31 -25.19 3.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.04 -24.83 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -58.88 -50.46 73.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.886 0.374 . . . . 0.0 110.297 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -67.06 -33.72 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.068 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.94 HD12 HG12 ' B' ' 57' ' ' VAL . 0.3 OUTLIER -60.75 -39.64 89.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.68 179.634 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -70.58 -47.91 57.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.74 -31.21 71.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -69.89 -49.63 50.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 39.5 p30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.618 0.247 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -31.18 43.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.641 ' HB3' HD11 ' A' ' 29' ' ' LEU . 14.8 mp0 -81.91 -29.29 32.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.678 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.94 HG12 HD12 ' A' ' 37' ' ' LEU . 21.8 t -75.42 -32.83 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.023 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.559 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.4 OUTLIER -63.7 -36.06 82.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.872 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -31.06 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 38.4 mm -61.5 -33.62 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.69 HD11 ' CD2' ' A' ' 37' ' ' LEU . 3.7 mm? -61.69 -40.27 94.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.805 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -38.29 82.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.608 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.92 -34.54 77.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.595 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -57.51 -36.58 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.707 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -69.47 -39.57 77.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.65 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.94 -44.96 87.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.658 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.778 HD13 ' HB3' ' A' ' 18' ' ' LEU . 5.7 tp -70.79 -33.98 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.623 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.3 -39.52 92.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.629 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -68.87 -40.39 79.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.555 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.649 ' CD2' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.88 -30.68 64.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.779 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.491 ' HA ' HD13 ' A' ' 15' ' ' ILE . 20.2 tt0 -74.93 -34.63 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -69.08 -43.52 74.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 3.1 ttm -61.16 -40.67 94.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.562 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -58.54 -50.04 75.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.089 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -47.94 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -35.18 78.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.354 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.404 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -73.88 -45.75 48.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.134 -179.829 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.579 ' HB2' HG21 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -73.38 -31.51 63.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.981 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.2 tt -72.83 -29.87 63.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.765 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 44.0 t -61.6 -33.47 73.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.624 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.692 ' O ' HG23 ' B' ' 82' ' ' THR . 0.9 OUTLIER -73.46 -66.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.745 179.765 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.692 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER 179.78 126.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.576 -179.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -54.57 -25.92 29.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.956 0.408 . . . . 0.0 110.266 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.51 -34.93 78.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.802 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 50.3 m -50.82 -25.22 4.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.813 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.727 HD12 HD12 ' B' ' 89' ' ' LEU . 5.1 tp -67.64 -29.44 68.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.34 -33.22 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.451 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -69.72 -28.76 66.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.899 HD21 HG12 ' A' ' 5' ' ' VAL . 65.9 mt -60.67 -44.25 96.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -56.16 -50.05 72.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.35 -39.87 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.764 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -40.36 87.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 t30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.758 0.313 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -62.13 -29.63 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.928 ' HB3' HD11 ' B' ' 81' ' ' LEU . 4.5 mp0 -78.8 -46.34 18.98 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 109.855 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.593 ' CG1' HD12 ' B' ' 89' ' ' LEU . 18.2 t -62.43 -38.62 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.01 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -41.32 92.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.795 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.75 -43.5 72.77 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.149 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.897 HG23 ' HG2' ' B' ' 74' ' ' LYS . 23.6 mm -63.99 -41.52 92.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.353 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.696 HD13 HD11 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -56.34 -41.03 75.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.178 179.603 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -63.04 -44.9 94.62 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -62.27 -35.26 78.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.358 178.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -55.85 -48.35 75.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.735 178.821 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -61.99 -33.92 75.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.804 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.3 -49.48 66.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.847 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.805 HG22 HD22 ' B' ' 70' ' ' LEU . 0.9 OUTLIER -68.66 -33.61 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.978 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -70.78 -40.64 72.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.594 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -43.03 76.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.006 0.432 . . . . 0.0 110.084 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.914 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -65.28 -42.16 93.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.443 179.507 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.641 ' HB2' HG21 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -63.27 -41.91 99.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.536 179.758 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -47.5 83.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.521 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.23 -34.88 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.464 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HG3' HD22 ' B' ' 63' ' ' LEU . 0.0 OUTLIER -61.13 -52.11 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.769 179.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -68.55 -31.85 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.46 -32.42 69.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -73.65 -43.7 58.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.899 ' HB2' HG21 ' B' ' 60' ' ' ILE . 1.4 tt0 -70.54 -37.24 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.738 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.69 -29.55 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.679 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -57.8 -43.43 85.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.724 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.582 HD21 ' HB2' ' B' ' 56' ' ' GLN . 0.7 OUTLIER -68.42 -60.82 2.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.503 179.704 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.532 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.6 t 174.07 127.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.591 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.49 -25.71 27.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.998 0.427 . . . . 0.0 110.297 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.37 -28.99 68.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.13 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.532 ' OG ' HG23 ' A' ' 30' ' ' THR . 9.9 m -50.36 -25.16 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.764 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.42 -28.32 68.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.551 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -65.14 -58.28 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.511 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -62.8 -33.84 76.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.301 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.0 HD21 HD13 ' B' ' 61' ' ' LEU . 0.8 OUTLIER -62.79 -41.03 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.722 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -66.12 -46.28 78.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -30.73 71.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.828 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -71.37 -35.08 70.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 18.4 p30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.724 0.297 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -40.09 84.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.582 ' HB2' HD21 ' A' ' 29' ' ' LEU . 6.5 mm-40 -78.93 -28.51 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.372 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.496 HG12 ' CD1' ' A' ' 37' ' ' LEU . 54.5 t -73.58 -32.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.872 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.18 -36.48 81.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.79 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.74 -32.89 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.899 HG21 ' HB2' ' A' ' 26' ' ' GLU . 42.2 mm -66.45 -48.78 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 1.0 HD13 HD21 ' A' ' 37' ' ' LEU . 6.6 tp -57.08 -39.69 75.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.721 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.75 72.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.019 0.438 . . . . 0.0 110.297 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.572 HD23 HD11 ' B' ' 67' ' ' ILE . 5.1 tt -68.86 -34.35 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.39 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.89 -35.91 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.695 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -56.86 -31.89 65.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.644 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -73.54 -35.79 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.536 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.914 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.1 mm -79.84 -33.93 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.233 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -39.89 65.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.449 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -69.67 -33.11 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.328 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.805 HD22 HG22 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -68.09 -30.8 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.639 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.423 ' HA ' ' NZ ' ' B' ' 74' ' ' LYS . 32.7 mt-30 -73.41 -34.87 65.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -43.81 86.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.3 ttp -74.09 -31.95 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.818 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.897 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -77.57 -38.21 48.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.193 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -30.47 63.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.205 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.22 -32.34 62.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.076 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.413 ' HB3' HD11 ' A' ' 8' ' ' ILE . 74.6 mt-30 -73.89 -46.66 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -34.3 74.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.633 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.4 -43.72 59.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -60.4 -32.29 71.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.928 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -62.34 -65.81 0.63 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.286 179.468 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' B' ' 81' ' ' LEU . 1.2 t 169.98 125.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.3 -25.88 26.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.017 0.437 . . . . 0.0 110.35 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.58 -36.59 81.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.239 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -25.34 4.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.678 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.86 -29.19 70.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.339 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -45.45 86.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.983 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -29.5 60.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.075 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.696 HD11 HD13 ' A' ' 9' ' ' LEU . 8.8 tt -72.76 -39.47 66.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.92 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.79 -39.6 91.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.676 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -51.3 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -107.43 -34.54 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -60.92 -28.11 68.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.736 ' CB ' HD22 ' B' ' 81' ' ' LEU . 4.3 mt-30 -78.39 -38.37 41.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.123 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.411 ' CG1' HD12 ' B' ' 89' ' ' LEU . 5.5 t -73.91 -32.73 34.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.083 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -66.22 -49.37 67.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.295 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -63.3 -36.88 85.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.962 0.41 . . . . 0.0 110.143 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.797 HD11 ' CG ' ' B' ' 77' ' ' GLN . 1.2 mp -65.1 -37.26 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.054 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.475 HD13 ' HG ' ' B' ' 89' ' ' LEU . 1.9 tp -63.75 -41.65 97.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.143 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.14 -39.64 90.79 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.429 ' HB3' ' CG ' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -66.3 -38.72 88.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.632 178.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.78 -37.36 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.478 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -63.81 -50.22 69.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.599 ' OE1' HD21 ' B' ' 70' ' ' LEU . 8.8 pt-20 -59.35 -36.5 75.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.894 HD13 ' HA ' ' B' ' 71' ' ' GLN . 20.3 mt -72.32 -53.21 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.0 0.429 . . . . 0.0 110.345 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -34.63 70.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.465 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.89 -37.83 76.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.338 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.627 HD23 HD21 ' B' ' 63' ' ' LEU . 0.2 OUTLIER -62.67 -37.77 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.648 179.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.66 -37.05 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -66.93 -41.29 87.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.723 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.8 ptp -70.03 -36.67 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.68 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HG2' HG23 ' B' ' 60' ' ' ILE . 9.6 ttpp -70.12 -44.32 69.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -39.04 89.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.643 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.95 -41.11 78.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.713 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -42.59 94.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.727 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.621 ' OE2' HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -66.67 -47.17 73.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.753 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -32.41 74.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.2 t -59.82 -40.67 89.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -64.71 -58.4 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.363 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.487 HG23 ' OG ' ' A' ' 33' ' ' SER . 2.6 t 175.51 123.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.379 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.43 -25.6 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.493 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.08 -28.97 68.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.202 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.529 ' OG ' HG21 ' B' ' 57' ' ' VAL . 4.6 m -50.35 -25.14 3.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.485 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 34' ' ' LEU . 3.3 mm? -57.91 -29.03 64.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.45 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.59 -50.57 64.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.392 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -39.75 93.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.298 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.802 HD12 ' CG1' ' B' ' 57' ' ' VAL . 0.2 OUTLIER -60.0 -41.5 92.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.648 179.645 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.75 -44.37 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -45.26 95.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.769 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -61.99 -44.08 97.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -43.28 80.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -37.05 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -64.14 -32.37 73.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -76.74 -23.27 53.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.8 mp -97.93 65.47 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.805 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -127.94 130.01 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -77.05 131.75 38.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mp -103.37 153.52 20.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.74 -53.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.56 -44.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.016 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -149.37 -45.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -32.37 67.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.586 ' HB3' HD11 ' A' ' 29' ' ' LEU . 4.6 mm-40 -81.87 -34.01 30.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.802 ' CG1' HD12 ' A' ' 37' ' ' LEU . 30.4 t -73.15 -32.85 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.809 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.506 ' HA ' HD23 ' B' ' 61' ' ' LEU . 1.1 mt-10 -63.71 -36.04 82.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.782 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -31.18 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.535 HG23 ' HG2' ' A' ' 22' ' ' LYS . 36.5 mt -63.6 -33.88 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.687 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.9 mm? -56.59 -38.13 71.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.736 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -69.33 -32.89 72.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.559 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.627 HD21 HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -70.57 -34.58 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.714 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -59.76 -37.71 79.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.698 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -66.17 -40.54 90.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.693 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -49.38 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.71 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -67.46 -34.1 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.33 -42.84 61.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.37 -39.76 85.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.602 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.755 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -61.7 -33.51 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.615 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.894 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -69.8 -33.27 72.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.08 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -61.21 -39.06 88.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -32.05 63.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.67 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -74.19 -41.22 61.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.458 ' O ' HD23 ' B' ' 79' ' ' LEU . 3.2 mt-10 -69.93 -37.63 75.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -32.24 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.755 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.797 ' CG ' HD11 ' A' ' 8' ' ' ILE . 1.2 tp-100 -67.45 -46.38 73.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.325 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.48 -36.55 79.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 110.947 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.458 HD23 ' O ' ' B' ' 75' ' ' GLU . 4.1 mm? -75.7 -12.83 60.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 52.8 p -84.15 -44.81 13.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.302 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.782 HD12 ' N ' ' B' ' 82' ' ' THR . 3.3 pp -70.76 -54.83 10.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 0.0 111.044 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.782 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.2 OUTLIER -171.69 119.41 0.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.786 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -60.59 -31.65 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.034 0.445 . . . . 0.0 110.114 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.14 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.403 ' OG ' HD11 ' B' ' 81' ' ' LEU . 8.9 p -50.45 -25.06 3.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.792 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 86' ' ' LEU . 10.5 tp -62.41 -28.63 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -59.5 -60.67 3.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.444 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -63.43 -29.1 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.384 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.545 ' C ' HD23 ' B' ' 89' ' ' LEU . 9.1 tt -67.05 -36.3 81.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.851 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -60.21 -42.27 94.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.28 -40.67 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.08 84.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -71.54 -41.17 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.39 -20.59 66.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -79.3 0.07 30.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.603 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -95.0 29.53 2.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.701 0.286 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.69 -28.17 33.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -97.42 33.73 1.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.37 -179.07 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.83 126.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 61.76 57.49 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.6 111.43 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.906 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.14 -25.17 11.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -34.82 72.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.849 ' HB3' HD11 ' B' ' 81' ' ' LEU . 5.7 mm100 -75.76 -41.57 52.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 1.063 HG12 HD21 ' B' ' 89' ' ' LEU . 13.9 t -64.43 -36.41 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.916 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -66.7 -40.41 88.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.801 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -47.62 77.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.165 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.686 HG23 ' HG2' ' B' ' 74' ' ' LYS . 27.3 mm -63.77 -34.62 69.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.336 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.752 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -57.16 -45.61 83.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.265 179.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -65.5 -42.87 91.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.699 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -34.61 76.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.81 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 2.7 tm-20 -64.19 -41.0 97.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.15 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -61.69 -40.85 96.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -48.39 81.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.602 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.889 HD13 ' HA ' ' B' ' 71' ' ' GLN . 10.2 mt -66.09 -48.36 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.506 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -59.58 -34.45 72.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.33 179.549 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -70.29 -33.53 71.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.487 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -51.6 40.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -60.24 -39.9 88.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.098 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HG2' ' HA ' ' A' ' 17' ' ' ASP . 15.6 ptm180 -70.21 -34.32 72.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 110.167 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 ttp -73.68 -32.86 64.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.54 -47.18 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.577 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -36.66 82.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.694 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.14 -41.23 81.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.777 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.57 -41.55 98.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.711 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' OE1' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -69.15 -42.18 76.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.709 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.2 -40.5 94.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.635 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -37.14 73.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.418 . . . . 0.0 110.27 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.1 OUTLIER -66.73 -68.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.261 179.382 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 m -166.54 120.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.329 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -54.47 -27.02 34.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.369 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.01 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.645 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.512 ' OG ' HG21 ' B' ' 57' ' ' VAL . 64.8 m -50.34 -25.01 3.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.694 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD22 ' OE1' ' A' ' 26' ' ' GLU . 1.6 mm? -59.98 -28.21 67.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.421 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -74.47 -54.44 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.732 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -36.85 85.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.615 ' HG ' HD21 ' B' ' 61' ' ' LEU . 10.2 tt -67.73 -40.8 84.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.743 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -69.14 -40.44 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.59 -44.04 97.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.74 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -63.69 -41.78 98.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -38.76 76.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -37.19 66.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -35.54 75.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.06 -23.23 35.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.25 139.74 37.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.34 32.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.801 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 60.33 -175.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mp -77.85 -52.17 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.92 115.26 19.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -92.02 -52.65 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.992 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -154.55 -46.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -67.67 -35.51 78.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.845 ' HB3' HD11 ' A' ' 29' ' ' LEU . 57.4 mm-40 -80.28 -29.49 38.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.541 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.518 HG12 HD12 ' A' ' 37' ' ' LEU . 43.7 t -71.75 -32.75 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.633 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.533 ' HA ' HD23 ' B' ' 61' ' ' LEU . 10.7 tt0 -58.26 -43.67 88.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.448 ' OE2' HD13 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -59.64 -27.41 66.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.886 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.448 HD13 ' OE2' ' B' ' 59' ' ' GLU . 39.7 mm -64.1 -33.65 63.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.615 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.9 mm? -61.96 -41.64 98.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.653 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -59.91 -36.98 78.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.741 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.28 -34.7 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.414 ' HA ' HG22 ' B' ' 67' ' ' ILE . 8.3 tm-20 -60.33 -36.68 78.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.754 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.94 -35.69 64.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -38.4 65.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.781 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -72.98 -41.57 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.416 ' N ' HG23 ' B' ' 67' ' ' ILE . 2.8 pp20? -68.16 -36.62 79.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.604 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -69.67 -33.87 73.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.759 HD22 ' CG1' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -72.71 -34.07 66.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.622 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.889 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.7 tt0 -68.18 -41.05 82.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -58.18 -36.26 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -32.87 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.686 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -78.77 -38.35 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -74.84 -30.67 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -73.44 -32.44 64.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.444 ' HB3' HD11 ' A' ' 8' ' ' ILE . 2.4 mt-30 -71.29 -46.69 60.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.593 ' HB2' HG21 ' A' ' 8' ' ' ILE . 4.4 tt0 -63.94 -34.06 77.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 0.0 110.831 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -51.17 33.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.636 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -61.66 -28.14 69.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.849 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.4 OUTLIER -65.69 -67.17 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.683 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.647 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 174.64 119.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.607 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -28.11 43.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.447 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.54 83.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.78 -25.68 4.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -26.22 62.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.699 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -36.4 78.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.734 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -73.24 -32.47 64.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.659 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 1.063 HD21 HG12 ' A' ' 5' ' ' VAL . 64.7 mt -63.59 -32.08 73.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.762 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -53.68 55.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -66.24 -30.78 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -39.51 66.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -27.97 38.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.65 -31.54 65.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.042 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -22.28 60.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.49 -23.14 37.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.308 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.32 125.7 49.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.869 0.366 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -34.85 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.38 159.45 44.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.77 -53.21 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.69 -51.14 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.795 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.97 -78.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.779 0.323 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -111.2 -27.71 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.023 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -59.63 -29.76 68.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.196 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.774 ' CB ' HD11 ' B' ' 81' ' ' LEU . 5.7 mp0 -78.3 -44.72 24.54 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.069 0.462 . . . . 0.0 109.936 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 1.048 HG12 HD21 ' B' ' 89' ' ' LEU . 3.8 t -65.19 -35.66 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.17 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.4 -42.47 83.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.964 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.08 -46.88 78.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.701 HG23 ' HG2' ' B' ' 74' ' ' LYS . 29.2 mm -63.89 -34.08 66.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.226 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.725 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -57.12 -48.7 78.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.17 179.397 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -64.4 -40.24 95.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.18 0.514 . . . . 0.0 109.696 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -35.41 79.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.955 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.61 -42.37 95.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.385 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -43.02 99.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.72 -45.39 92.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.898 HD13 ' HA ' ' B' ' 71' ' ' GLN . 11.1 mt -69.11 -45.31 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -34.44 76.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.445 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -69.59 -39.07 77.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.474 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 0.2 OUTLIER -71.28 -34.62 70.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.857 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -40.67 74.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -67.76 -42.87 81.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.269 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.474 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 1.9 ptp -68.0 -32.03 72.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.42 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -50.14 71.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.39 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -62.65 -44.1 97.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.675 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -38.71 84.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.668 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -45.21 93.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.31 -37.91 74.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.751 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.88 -34.79 77.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.585 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -41.23 86.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -61.58 -51.36 68.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.295 179.495 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 33' ' ' SER . 1.0 OUTLIER 169.53 123.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.185 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -54.44 -25.96 28.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.7 -32.77 73.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.444 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.652 ' OG ' HG21 ' B' ' 57' ' ' VAL . 0.4 OUTLIER -50.5 -25.13 3.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.738 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 34' ' ' LEU . 1.2 mm? -61.47 -27.99 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.288 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.92 -46.65 74.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.372 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.79 -40.72 83.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.298 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.013 HD11 HD13 ' B' ' 61' ' ' LEU . 0.9 OUTLIER -59.4 -36.76 76.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.604 179.633 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -39.94 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -66.29 -45.03 81.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.967 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -64.91 -37.24 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -78.53 -47.0 18.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.23 -33.6 71.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -59.34 -29.72 67.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.65 29.59 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -117.6 137.3 52.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.412 ' H ' HD23 ' A' ' 45' ' ' LEU . 5.3 ptp85 -157.93 41.55 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.74 142.13 18.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mt -83.35 82.03 8.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -103.41 31.38 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.04 139.41 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.668 ' O ' HG23 ' B' ' 57' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -90.26 -29.47 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -32.51 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.774 ' HB3' HD11 ' A' ' 29' ' ' LEU . 11.9 mt-30 -81.75 -31.59 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.502 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 53' ' ' GLU . 26.4 t -72.15 -32.7 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.86 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -72.06 -31.56 66.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.59 -41.92 92.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.8 mt -60.47 -33.41 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 1.013 HD13 HD11 ' A' ' 37' ' ' LEU . 3.7 tp -59.39 -37.12 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.493 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -35.3 80.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.161 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.8 -34.21 77.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.356 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' B' ' 67' ' ' ILE . 8.8 tt0 -55.86 -35.96 67.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.821 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -31.7 72.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -49.44 30.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.463 HG22 ' HA ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -69.09 -37.12 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.407 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -68.03 -41.73 81.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.552 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -69.62 -32.85 71.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.018 0.437 . . . . 0.0 110.464 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.721 HD22 ' CG1' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -72.73 -34.68 67.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.624 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.898 ' HA ' HD13 ' A' ' 15' ' ' ILE . 22.2 tt0 -70.77 -29.15 65.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 -64.49 -38.81 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 1.3 ttt -73.81 -34.55 64.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.701 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -75.28 -39.09 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.68 -38.74 62.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -70.65 -32.37 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.451 ' HB3' HD11 ' A' ' 8' ' ' ILE . 13.9 mt-30 -71.81 -46.7 57.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.675 ' HB2' HG21 ' A' ' 8' ' ' ILE . 1.9 tm-20 -69.36 -37.13 77.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.372 . . . . 0.0 110.738 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.694 ' O ' HD23 ' B' ' 79' ' ' LEU . 4.1 tt -67.95 -40.53 83.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.641 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 45.4 t -68.99 -30.45 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.505 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -64.44 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.684 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.578 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.0 OUTLIER 177.01 119.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.685 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -28.56 48.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.932 0.396 . . . . 0.0 110.435 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.31 -32.95 74.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.939 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 73.4 m -50.62 -25.18 3.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.764 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.598 HD23 HD12 ' B' ' 89' ' ' LEU . 11.9 mt -65.85 -27.83 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -65.9 -46.42 78.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.4 ' CE ' HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -68.82 -28.43 66.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.751 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 1.048 HD21 HG12 ' A' ' 5' ' ' VAL . 21.0 mt -67.36 -31.51 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.06 -43.06 86.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.43 -43.19 97.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -73.28 -33.93 65.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -35.12 65.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -31.9 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -65.27 79.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -103.33 29.49 5.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.447 HD12 ' N ' ' B' ' 97' ' ' LEU . 1.0 OUTLIER -117.56 150.34 39.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.99 169.23 17.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.61 167.75 21.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' B' ' 100' ' ' LEU . 0.2 OUTLIER -107.73 85.93 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -169.54 171.61 7.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.85 168.93 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.916 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -176.43 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.784 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.85 -39.46 90.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.81 -42.03 58.85 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.821 HG12 HD21 ' B' ' 89' ' ' LEU . 3.8 t -63.47 -41.04 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.245 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.31 -41.88 98.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.937 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -42.93 80.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.414 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.57 HG23 ' HG2' ' B' ' 74' ' ' LYS . 4.7 mm -63.7 -41.11 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.723 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -56.22 -41.46 75.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.321 179.663 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -63.32 -46.35 87.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.164 0.507 . . . . 0.0 109.695 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.681 HD22 HD11 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -62.27 -34.59 76.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.687 178.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.79 -42.38 93.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.016 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' HG2' ' A' ' 16' ' ' GLU . 31.4 mttp -62.89 -42.08 99.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.091 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.9 -39.48 93.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.872 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.681 HD11 HD22 ' A' ' 11' ' ' LEU . 6.2 mt -70.93 -48.21 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.823 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -66.56 -33.85 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.811 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 40.7 t0 -68.28 -43.68 77.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.84 0.352 . . . . 0.0 110.505 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.513 HD23 HD21 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -65.49 -35.25 80.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 179.713 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -48.54 78.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.519 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -66.52 -34.16 77.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.536 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -44.03 88.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.784 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.73 -49.92 74.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -65.0 -42.26 94.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -68.93 -32.44 72.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.726 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -71.23 -46.57 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.676 ' HB2' HG21 ' B' ' 60' ' ' ILE . 0.6 OUTLIER -67.39 -37.33 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.688 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -41.59 97.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.554 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -58.69 -32.95 69.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.971 0.415 . . . . 0.0 110.346 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.732 HD11 ' CB ' ' B' ' 56' ' ' GLN . 0.5 OUTLIER -68.16 -54.91 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.338 179.49 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 177.64 119.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.496 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.87 -28.9 53.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.36 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.58 69.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.0 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.6 m -50.76 -24.92 3.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 34' ' ' LEU . 1.3 mm? -63.21 -29.31 70.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.93 18.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -63.02 -39.77 95.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.443 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.85 HD11 HD13 ' B' ' 61' ' ' LEU . 0.4 OUTLIER -62.29 -41.91 98.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.809 179.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.53 -40.43 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.32 -40.0 95.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -46.28 88.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -69.0 -39.17 79.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.62 -28.32 63.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -57.22 -30.76 64.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -85.25 -23.36 28.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mp -101.97 164.87 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.61 149.32 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.99 162.81 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mt -143.95 -178.98 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.64 -54.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 60.27 169.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.6 ' O ' HG23 ' B' ' 57' ' ' VAL . 2.6 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.82 0.343 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -55.64 -32.17 62.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -64.78 -34.81 79.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.732 ' CB ' HD11 ' A' ' 29' ' ' LEU . 9.7 mm100 -80.62 -32.87 36.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.429 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.704 HG12 HD12 ' A' ' 37' ' ' LEU . 24.7 t -70.33 -32.67 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.806 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.79 -34.72 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.683 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.48 -32.8 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.676 HG21 ' HB2' ' A' ' 26' ' ' GLU . 39.1 mm -63.68 -34.05 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.772 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.85 HD13 HD11 ' A' ' 37' ' ' LEU . 1.2 tp -65.12 -39.12 92.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -36.55 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.513 HD21 HD23 ' A' ' 18' ' ' LEU . 1.6 tt -63.44 -34.38 77.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.683 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -55.69 -35.96 66.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -31.2 72.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.631 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.574 ' O ' HD12 ' B' ' 70' ' ' LEU . 4.7 tt0 -71.85 -49.07 41.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.747 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.419 ' HB ' ' HB3' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -67.68 -35.12 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -68.12 -38.82 82.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.706 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.79 -46.95 88.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.681 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.574 HD12 ' O ' ' B' ' 66' ' ' GLU . 1.5 mt -62.43 -33.59 75.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.05 -50.79 64.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -43.99 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -32.07 73.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.601 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.57 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -69.12 -50.81 44.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.071 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.52 -37.08 85.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -34.2 72.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.103 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.424 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -74.03 -46.33 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.976 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.57 ' HA ' HD21 ' B' ' 81' ' ' LEU . 1.5 tt0 -64.86 -29.21 70.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.88 -24.53 41.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.664 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.31 -44.2 46.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.66 HD12 ' N ' ' B' ' 82' ' ' THR . 2.7 pp -67.1 -48.07 69.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.66 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 176.31 119.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.947 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -59.72 -29.49 68.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.338 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.33 -30.91 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 70.4 m -50.53 -25.3 3.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.556 HD22 ' OE2' ' B' ' 78' ' ' GLU . 4.1 mm? -60.94 -32.42 71.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -31.5 59.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -31.58 71.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.821 HD21 HG12 ' A' ' 5' ' ' VAL . 42.5 mt -59.83 -42.75 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -49.33 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.035 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.67 -32.58 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.025 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -41.04 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.141 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -30.63 53.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.73 -47.54 83.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -79.3 59.44 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -107.46 -23.12 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tp -64.45 139.37 58.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -144.27 115.26 7.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.38 105.48 16.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 40.9 tp -130.43 151.23 51.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -89.86 -40.76 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.02 -34.77 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.81 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.826 0.346 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -120.19 -41.75 2.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.786 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -28.17 66.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -75.64 -41.17 54.88 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' B' ' 85' ' ' SER . 2.9 t -64.88 -37.84 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.135 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.46 -42.03 92.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.072 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -44.76 84.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.482 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' B' ' 78' ' ' GLU . 5.4 mm -64.5 -36.66 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.704 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.625 HD13 HD11 ' B' ' 89' ' ' LEU . 0.5 OUTLIER -59.53 -45.61 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.331 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tpp85 -62.33 -44.82 95.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.122 0.486 . . . . 0.0 109.7 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -62.44 -35.51 79.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.766 179.051 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.19 -45.34 91.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.279 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -39.76 92.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.156 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.17 -43.62 92.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.472 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.834 HD12 ' HE3' ' B' ' 74' ' ' LYS . 38.8 mt -73.47 -38.14 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.311 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -39.28 93.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.88 -38.83 76.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.426 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.825 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -71.08 -33.97 70.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.588 179.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -71.51 -46.6 59.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.752 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -65.29 -34.36 78.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.656 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 ttp -67.4 -42.32 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.727 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.99 -47.86 84.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.742 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.532 ' O ' HD13 ' A' ' 27' ' ' LEU . 15.4 mt-10 -66.6 -38.6 87.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -69.18 -36.39 77.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -66.8 -43.09 84.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.723 ' OE1' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -68.12 -44.54 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 23' ' ' GLU . 5.2 mp -62.27 -32.87 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.741 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 p -57.12 -36.84 71.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.49 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 30' ' ' THR . 0.3 OUTLIER -69.89 -54.43 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.333 179.554 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 174.42 121.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.364 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -54.51 -29.03 49.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 -28.96 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.778 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.1 m -50.08 -25.09 3.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.685 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.723 HD22 ' OE1' ' A' ' 26' ' ' GLU . 3.3 mm? -58.54 -27.48 64.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -65.83 -40.98 92.3 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.717 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -65.02 -48.51 73.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.602 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.101 HD21 HG12 ' B' ' 57' ' ' VAL . 84.4 mt -56.08 -39.51 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.123 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.1 -39.03 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -34.67 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -31.73 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.505 ' NH1' HD22 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -72.42 -32.01 65.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -76.16 -31.12 58.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -33.13 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -23.21 18.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.055 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.16 38.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -103.49 -39.24 6.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -95.1 146.99 23.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.8 mp -77.62 78.6 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -96.22 153.04 18.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -142.98 -47.19 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.498 ' O ' HG23 ' B' ' 57' ' ' VAL . 2.4 mm-40 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -109.86 -33.16 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -61.09 -32.31 71.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.53 ' CB ' HD21 ' A' ' 29' ' ' LEU . 14.8 mt-30 -81.95 -35.47 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.39 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 1.101 HG12 HD21 ' A' ' 37' ' ' LEU . 28.5 t -74.64 -32.91 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.866 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -33.26 75.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.763 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.55 -35.04 75.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.686 HG21 ' HB2' ' A' ' 26' ' ' GLU . 36.7 mm -62.89 -37.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.798 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.824 HD21 HD22 ' A' ' 37' ' ' LEU . 44.9 mt -60.34 -46.96 88.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 ttt-85 -61.39 -32.8 72.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.417 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.718 ' CD2' HD11 ' B' ' 67' ' ' ILE . 1.9 tt -65.8 -34.52 78.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.556 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.19 -35.82 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.734 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -58.77 -34.76 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -32.06 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.727 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.825 HD12 ' HB3' ' A' ' 18' ' ' LEU . 3.3 mm -75.0 -44.69 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -68.17 -36.94 80.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.683 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.49 -43.39 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.783 HD22 HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -68.34 -39.46 81.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.437 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.799 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.6 tt0 -64.53 -42.54 95.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -38.6 71.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 6.5 ttt -74.07 -31.99 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.739 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.834 ' HE3' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -71.15 -41.72 70.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -69.33 -43.51 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -65.44 -32.31 73.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.419 ' HB3' HD12 ' A' ' 8' ' ' ILE . 14.4 tt0 -72.63 -46.57 53.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.321 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.758 ' OE2' HD22 ' B' ' 86' ' ' LEU . 0.6 OUTLIER -68.33 -29.08 67.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tp -80.77 -20.82 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.821 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.81 -43.05 31.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.707 HD12 ' N ' ' B' ' 82' ' ' THR . 2.0 pp -63.98 -49.73 71.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.732 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.707 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 175.47 119.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -29.26 61.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.47 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -29.21 68.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.949 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.621 ' OG ' HD11 ' B' ' 81' ' ' LEU . 60.2 p -50.57 -25.28 3.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.653 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.758 HD22 ' OE2' ' B' ' 78' ' ' GLU . 2.4 mm? -61.09 -30.26 70.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.528 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -72.48 -60.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.535 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -59.89 -30.5 69.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.628 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.625 HD11 HD13 ' A' ' 9' ' ' LEU . 9.0 tt -64.97 -41.24 95.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.9 -42.35 94.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.46 -31.04 67.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.16 80.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.29 -30.18 38.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.7 -41.95 91.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -79.24 74.66 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.09 29.54 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.15 30.12 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 58.52 32.99 22.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -113.5 106.99 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 12.3 mt -132.37 -46.5 0.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -150.99 -175.35 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -135.61 31.36 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.85 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.694 0.283 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -177.94 -38.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -28.79 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.946 ' HB3' HD11 ' B' ' 81' ' ' LEU . 5.6 mt-30 -77.99 -43.0 30.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.082 0.467 . . . . 0.0 109.887 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 1.027 HG12 HD21 ' B' ' 89' ' ' LEU . 2.8 t -68.21 -34.13 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.079 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -43.96 82.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.826 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -40.1 85.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.206 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' HG2' ' B' ' 74' ' ' LYS . 22.6 mm -62.22 -42.3 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.501 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.867 ' CD2' HD22 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -57.25 -52.47 65.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.105 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 ttm-85 -58.29 -38.44 77.05 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -65.07 -37.27 86.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.601 178.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -43.18 82.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.956 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -64.96 -40.73 95.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.065 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.84 -47.58 82.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.442 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.707 HD13 ' HA ' ' B' ' 71' ' ' GLN . 19.4 mt -65.4 -49.52 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -35.19 74.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.464 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.51 -39.47 88.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.434 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.536 HD23 HD21 ' B' ' 63' ' ' LEU . 0.4 OUTLIER -63.24 -39.81 95.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.531 179.61 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -47.3 84.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.738 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -59.97 -43.82 94.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.599 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.53 -32.54 74.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -52.6 55.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.67 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -33.49 74.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -68.67 -34.82 76.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.729 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -38.48 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.636 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.761 ' HG2' HD12 ' B' ' 60' ' ' ILE . 0.1 OUTLIER -72.96 -43.81 61.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 179.769 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -66.99 -34.86 78.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.653 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -59.0 -36.8 75.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.156 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.753 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -70.87 -69.25 0.38 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.287 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 m -166.88 122.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.263 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.38 -26.31 29.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.415 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.46 -28.97 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.93 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.485 ' HB3' HG11 ' B' ' 57' ' ' VAL . 26.9 m -50.11 -25.03 3.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.75 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.59 -26.79 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.557 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -68.73 -44.24 74.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.704 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.656 ' HZ1' HG21 ' B' ' 57' ' ' VAL . 4.8 mtmp? -68.29 -42.87 78.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.228 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.672 HD12 HG12 ' B' ' 57' ' ' VAL . 0.2 OUTLIER -58.16 -38.33 76.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.821 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -70.23 -49.82 46.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -31.83 73.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -67.88 -43.58 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -47.61 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -26.74 65.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.91 -30.1 63.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.29 -23.3 65.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 mp -105.82 -68.56 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.89 35.47 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.76 155.75 14.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.19 155.31 31.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.04 95.78 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.65 123.38 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.759 ' O ' HG23 ' B' ' 57' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -79.19 -31.01 43.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -30.29 71.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.753 ' HB3' HD11 ' A' ' 29' ' ' LEU . 26.0 mt-30 -82.0 -34.68 29.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.568 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.759 HG23 ' O ' ' B' ' 53' ' ' GLU . 11.7 t -72.97 -32.94 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.826 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.534 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.5 OUTLIER -62.78 -37.89 88.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.586 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.75 -31.34 72.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.761 HD12 ' HG2' ' A' ' 26' ' ' GLU . 20.7 mt -62.36 -33.54 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.607 HD21 ' HG ' ' A' ' 37' ' ' LEU . 4.2 mm? -57.79 -44.73 86.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -62.2 -32.98 73.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.613 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.536 HD21 HD23 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -67.03 -34.73 78.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.622 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -58.7 -35.96 73.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.691 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -66.56 -34.41 77.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -49.45 52.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.401 HG23 ' N ' ' B' ' 68' ' ' GLU . 0.0 OUTLIER -67.1 -39.98 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 179.492 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.401 ' N ' HG23 ' B' ' 67' ' ' ILE . 1.8 mt-10 -63.85 -42.38 97.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.378 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -69.66 -32.94 71.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.417 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.668 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -70.66 -36.36 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.533 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.707 ' HA ' HD13 ' A' ' 15' ' ' ILE . 17.8 tt0 -74.61 -35.05 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -35.1 78.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 19.1 ptm -73.82 -35.57 64.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.726 ' HG2' HG23 ' A' ' 8' ' ' ILE . 5.2 ttpp -73.51 -43.05 60.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.767 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.36 -34.54 77.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.88 -32.27 59.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.523 ' HB3' HD11 ' A' ' 8' ' ' ILE . 4.2 mm-40 -70.74 -41.36 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -68.89 -43.23 75.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -38.76 92.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.7 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 t -70.84 -29.92 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.946 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -66.01 -66.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.652 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.671 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 176.65 119.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.743 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -54.84 -28.19 47.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -32.22 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.058 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 62.0 m -50.63 -25.18 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.769 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' B' ' 86' ' ' LEU . 15.0 mt -64.58 -28.66 69.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.708 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -74.73 -30.72 61.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.761 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -76.33 -35.15 58.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 1.027 HD21 HG12 ' A' ' 5' ' ' VAL . 90.3 mt -67.08 -36.81 82.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.734 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -59.23 -39.04 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.94 -36.12 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -77.3 -35.83 54.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -36.69 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.33 -41.5 76.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -67.48 -21.44 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.61 -23.31 66.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.16 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 mp -87.1 -75.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.879 0.371 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -77.02 166.13 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.06 139.21 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.5 99.66 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.97 -56.84 2.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -118.77 156.98 28.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.846 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.759 0.314 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.78 -23.41 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -65.85 -30.4 71.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.026 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.908 ' HB3' HD11 ' B' ' 81' ' ' LEU . 61.2 mt-30 -79.91 -48.47 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.041 0.448 . . . . 0.0 109.81 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.714 ' CG1' HD12 ' B' ' 89' ' ' LEU . 12.8 t -65.39 -33.01 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.011 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.56 -41.46 75.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.894 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.01 -42.52 85.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.212 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.56 HG21 ' HG3' ' B' ' 78' ' ' GLU . 16.9 mm -67.78 -36.86 77.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.665 HD13 HD11 ' B' ' 89' ' ' LEU . 1.2 tp -58.98 -42.49 90.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.195 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -65.51 -44.74 86.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -62.32 -34.51 76.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.699 178.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -60.34 -46.59 89.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.089 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -59.94 -41.07 91.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.355 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.46 -49.43 77.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.661 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.702 HG13 HD22 ' B' ' 70' ' ' LEU . 3.4 mt -67.39 -41.93 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -38.07 84.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.333 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.9 -33.22 71.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.293 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.937 HD22 HG22 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -72.64 -38.48 67.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.655 179.73 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -67.92 -45.13 75.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.71 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -39.48 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.689 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 tpp -64.2 -39.44 93.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.803 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -67.11 -45.83 76.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.786 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.3 -41.88 96.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -35.17 79.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.727 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.561 ' HB3' HD12 ' B' ' 60' ' ' ILE . 3.8 tp-100 -66.31 -45.62 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' HB2' HG21 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -66.92 -45.11 78.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.34 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.734 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.52 -40.99 88.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -68.7 -55.58 10.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.631 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.62 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.2 t 176.9 125.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.462 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.42 -25.72 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.522 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.02 -28.91 68.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.004 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.62 ' OG ' HG23 ' A' ' 30' ' ' THR . 12.0 m -50.27 -25.1 3.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.601 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 34' ' ' LEU . 4.0 mm? -58.32 -29.63 66.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -70.34 -53.22 17.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.484 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -67.57 -34.76 77.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.517 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.628 ' HG ' HD21 ' B' ' 61' ' ' LEU . 3.2 tt -66.97 -33.2 75.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -46.83 57.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.72 -33.97 74.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -36.07 58.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.561 HH22 HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.57 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -78.59 -29.91 46.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -30.1 69.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.999 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.72 -23.27 31.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.268 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.561 HD13 HH22 ' A' ' 41' ' ' ARG . 6.1 tp -106.43 158.35 16.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.68 -175.69 4.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -106.74 -52.53 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.93 97.94 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 60.02 170.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.37 -57.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.811 ' O ' HG23 ' B' ' 57' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -65.45 -30.52 71.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -63.11 -37.59 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.45 ' HB2' HD21 ' A' ' 29' ' ' LEU . 32.5 mm-40 -79.51 -29.54 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.42 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.811 HG23 ' O ' ' B' ' 53' ' ' GLU . 40.1 t -72.28 -33.03 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.83 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.54 -37.71 82.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.699 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -31.26 71.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 25' ' ' GLN . 38.8 mm -60.55 -44.66 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.628 HD21 ' HG ' ' A' ' 37' ' ' LEU . 62.7 mt -59.68 -35.34 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.605 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -36.7 81.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.497 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.72 -34.41 77.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.499 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.44 -37.05 69.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.792 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -62.68 -31.49 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.53 -48.67 31.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.937 HG22 HD22 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.68 -33.56 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.762 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.45 ' N ' HG13 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -68.7 -47.63 65.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.613 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.42 -39.19 86.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.35 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.702 HD22 HG13 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -72.9 -31.15 64.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.538 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.559 ' CB ' HG21 ' A' ' 15' ' ' ILE . 10.2 tt0 -75.8 -28.67 58.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -68.92 -45.39 70.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.2 ttm -68.11 -31.94 71.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.571 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -72.55 -44.75 61.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.115 -179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -71.03 -37.29 72.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.063 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -32.3 70.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.779 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.445 ' HB3' HD11 ' A' ' 8' ' ' ILE . 1.4 mt-30 -69.03 -46.74 67.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.56 ' HG3' HG21 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -66.09 -38.38 88.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.609 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -45.11 91.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.578 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -61.57 -25.38 67.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -69.37 -71.75 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.519 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.721 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.6 OUTLIER -178.67 120.67 0.08 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.46 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -54.29 -27.73 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.434 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.36 -31.23 71.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.832 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 66.4 p -50.48 -25.31 3.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.588 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.403 HD23 ' O ' ' B' ' 83' ' ' GLU . 4.3 mm? -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.572 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.92 -57.84 6.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.545 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -66.77 -31.66 72.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.714 HD12 ' CG1' ' A' ' 5' ' ' VAL . 10.1 tt -67.96 -32.96 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.755 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -66.84 -34.52 77.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -61.65 -40.7 95.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -68.8 -41.97 77.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -44.23 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.93 -34.49 71.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -78.78 79.39 5.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -102.81 -23.26 13.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.39 147.99 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -149.63 31.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.823 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 11.7 mtp-105 -91.24 93.17 8.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.768 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt 60.06 172.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -145.98 42.97 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 61.14 91.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.897 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 5' ' ' VAL . 5.1 mt-10 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.851 0.358 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -56.95 -39.7 75.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -27.96 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -78.55 -45.12 22.56 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.946 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.586 HG12 HD12 ' B' ' 89' ' ' LEU . 3.1 t -65.46 -36.68 78.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.021 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.08 -42.38 89.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.931 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.4 -43.45 83.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.342 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' B' ' 78' ' ' GLU . 8.8 mm -67.74 -34.91 70.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.511 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.621 HD13 HD11 ' B' ' 89' ' ' LEU . 1.2 tp -60.47 -42.82 96.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.236 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -44.83 90.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.327 0.584 . . . . 0.0 109.427 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.404 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -62.34 -34.62 77.0 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.738 178.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.09 -42.38 98.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.946 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -62.78 -39.2 93.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.179 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.25 -43.88 95.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.582 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.846 HD13 ' HA ' ' B' ' 71' ' ' GLN . 21.9 mt -72.47 -42.22 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.397 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -36.03 82.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.284 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.89 -39.21 76.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.336 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.958 HD22 HG22 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -65.95 -45.07 83.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.541 179.553 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.35 -45.82 89.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.624 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -65.62 -43.21 90.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.709 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.658 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -70.27 -41.4 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -68.41 -38.56 81.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -37.34 84.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.767 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -68.11 -46.63 70.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.8 ' HB2' HG21 ' B' ' 60' ' ' ILE . 1.2 tt0 -66.05 -36.56 83.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.717 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.52 -34.29 73.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -32.51 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.632 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -71.68 -71.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.542 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -166.08 123.07 1.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.541 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -28.59 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.118 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.6 -29.15 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.774 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 m -50.35 -25.08 3.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.807 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.419 HD22 ' OE2' ' A' ' 26' ' ' GLU . 1.7 mm? -59.96 -29.59 68.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.434 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -57.66 3.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -31.4 72.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.447 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.788 HD12 HG12 ' B' ' 57' ' ' VAL . 5.5 tt -67.62 -43.26 80.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -71.63 -39.91 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -46.66 88.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -48.05 80.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.499 ' HG3' HD22 ' B' ' 61' ' ' LEU . 0.2 OUTLIER -63.76 -46.85 83.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.861 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.38 -27.88 69.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -58.29 -32.72 68.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.975 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.43 -23.25 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -29.83 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 158.0 11.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.35 104.86 8.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -138.06 153.06 49.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -84.0 111.81 19.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.3 105.14 8.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.894 0.378 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -176.77 -63.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -29.39 69.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.623 ' HB3' HD11 ' A' ' 29' ' ' LEU . 23.2 mm-40 -81.87 -31.62 31.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.684 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.788 HG12 HD12 ' A' ' 37' ' ' LEU . 26.1 t -72.45 -32.86 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.062 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' B' ' 61' ' ' LEU . 96.9 mt-10 -64.82 -35.41 81.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -39.23 79.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.8 HG21 ' HB2' ' A' ' 26' ' ' GLU . 40.3 mm -63.15 -39.92 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.553 HD21 ' HG ' ' A' ' 37' ' ' LEU . 21.2 mt -58.18 -34.91 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -40.24 93.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.421 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.5 ' O ' HG23 ' B' ' 67' ' ' ILE . 1.6 mt -67.77 -34.43 76.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.347 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.411 ' O ' HG13 ' B' ' 67' ' ' ILE . 1.3 tt0 -57.11 -36.0 70.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.778 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -61.47 -35.06 76.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -73.82 -39.16 64.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.958 HG22 HD22 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -71.53 -33.82 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.328 -179.574 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.457 ' N ' HG13 ' B' ' 67' ' ' ILE . 12.5 pt-20 -74.53 -41.83 59.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -65.52 -33.06 75.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.72 HD22 HG12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -72.75 -33.8 66.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.716 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.846 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.2 tt0 -67.66 -35.9 79.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.061 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -58.48 -40.89 83.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.8 ttp -73.97 -32.13 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.272 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.691 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -75.39 -35.29 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.987 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -43.36 55.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.794 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -68.8 -32.29 71.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 2.5 mt-30 -68.32 -46.64 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.725 ' HB2' HG21 ' A' ' 8' ' ' ILE . 4.6 tm-20 -69.46 -31.73 70.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.91 0.386 . . . . 0.0 110.763 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 mp -80.02 -21.6 43.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.634 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 29.6 t -77.84 -43.59 29.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.739 HD12 ' N ' ' B' ' 82' ' ' THR . 2.7 pp -63.68 -47.43 81.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.831 0.348 . . . . 0.0 110.752 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.739 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 172.08 119.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.791 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -58.05 -29.86 65.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.343 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -32.07 72.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.003 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.468 ' HB3' HG22 ' A' ' 5' ' ' VAL . 57.8 m -50.71 -25.0 3.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' ' 86' ' ' LEU . 10.7 tp -65.28 -29.61 70.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.597 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -61.1 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.274 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -29.65 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.306 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.621 HD11 HD13 ' A' ' 9' ' ' LEU . 10.4 tt -63.27 -37.27 86.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.773 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -32.09 73.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.96 -40.2 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -62.76 -49.48 74.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -44.89 94.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -31.53 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.23 80.2 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -99.87 29.61 4.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.46 109.38 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -174.69 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -136.64 43.95 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 mt 62.54 148.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -130.44 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -104.45 -55.18 2.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.004 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.902 0.382 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.87 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -29.9 71.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.855 ' HB3' HD11 ' B' ' 81' ' ' LEU . 18.4 mm-40 -78.51 -46.19 20.18 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 109.791 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.583 ' CG1' HD12 ' B' ' 89' ' ' LEU . 19.6 t -64.52 -35.7 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.946 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.42 -39.61 85.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.758 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.41 -48.75 76.3 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.154 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.657 HG21 ' HB2' ' B' ' 78' ' ' GLU . 21.1 mm -63.16 -35.37 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.349 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.64 HD13 HD11 ' B' ' 89' ' ' LEU . 1.2 tp -56.42 -44.94 80.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.11 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -42.34 95.78 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -62.4 -34.68 77.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.872 178.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HA ' HD12 ' A' ' 15' ' ' ILE . 2.8 tt0 -61.77 -45.95 91.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.19 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -40.36 88.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.343 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.89 -49.45 77.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.677 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.623 HG21 ' HG3' ' B' ' 71' ' ' GLN . 3.5 mt -66.1 -42.88 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.056 0.455 . . . . 0.0 110.456 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.97 -41.24 96.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.367 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -39.0 76.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.251 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.803 ' HB3' HG22 ' B' ' 67' ' ' ILE . 0.4 OUTLIER -60.45 -43.53 96.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.509 179.655 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.45 ' HG2' HD13 ' B' ' 67' ' ' ILE . 1.2 tm0? -65.87 -39.85 91.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.621 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -60.3 -41.49 93.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.567 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.8 mtm -65.27 -41.36 94.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' HG2' HG23 ' B' ' 60' ' ' ILE . 22.8 ttpp -66.24 -44.04 84.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.802 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -39.56 80.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.737 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.15 -40.55 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -63.99 -38.01 89.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.6 ' CD ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -69.84 -48.52 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.81 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.77 -31.94 71.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.729 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.49 -37.85 73.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.397 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' B' ' 56' ' ' GLN . 0.3 OUTLIER -70.88 -55.93 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.384 179.425 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -179.03 122.87 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.303 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.26 -29.22 46.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.011 0.434 . . . . 0.0 110.032 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.75 -29.12 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.729 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 36' ' ' LYS . 70.3 m -50.43 -25.04 3.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.614 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.6 HD22 ' CD ' ' A' ' 26' ' ' GLU . 3.3 mm? -58.7 -27.14 64.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.433 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -72.96 -53.72 10.51 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.675 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -65.66 -32.1 73.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.682 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.614 ' HG ' HD21 ' B' ' 61' ' ' LEU . 7.2 tt -69.1 -41.54 77.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -66.89 -50.01 63.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.65 -35.87 77.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -41.7 93.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.754 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' HD12 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -60.42 -47.8 84.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.37 -25.59 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.023 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -27.9 63.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.081 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.5 29.55 6.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -33.52 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.815 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 154.56 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -68.27 81.57 0.24 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.54 103.67 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -76.14 -64.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -175.4 -40.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -175.47 -45.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.74 -31.94 67.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.566 ' HB2' HD21 ' A' ' 29' ' ' LEU . 4.0 mt-30 -80.54 -31.79 36.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.443 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.55 HG12 HD12 ' A' ' 37' ' ' LEU . 17.3 t -68.19 -32.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.631 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.572 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.7 OUTLIER -63.54 -35.97 82.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -31.34 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.816 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.462 HG23 ' HG2' ' A' ' 22' ' ' LYS . 40.0 mm -59.62 -34.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.614 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.7 mm? -59.72 -41.08 90.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -42.22 98.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.498 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.65 -34.67 78.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -57.92 -38.92 76.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.668 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -71.13 -36.17 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.609 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.23 -40.05 96.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.572 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.803 HG22 ' HB3' ' A' ' 18' ' ' LEU . 5.7 pt -73.56 -33.61 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.788 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.545 ' N ' HG13 ' B' ' 67' ' ' ILE . 3.2 mt-10 -72.03 -42.8 65.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.57 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.62 -40.9 89.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.0 110.409 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.518 HD22 HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -72.94 -28.16 62.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.499 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.623 ' HG3' HG21 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -74.3 -31.9 62.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -44.76 92.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 7.1 ttm -68.11 -32.04 72.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.778 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.551 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -72.84 -47.05 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.007 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.33 -35.08 71.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -71.67 -32.46 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.461 ' HB3' HD11 ' A' ' 8' ' ' ILE . 37.9 mt-30 -72.69 -46.56 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.657 ' HB2' HG21 ' A' ' 8' ' ' ILE . 8.9 tm-20 -66.79 -32.86 74.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.736 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.43 -47.96 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 57.5 p -62.78 -29.48 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -64.35 -66.01 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.695 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.635 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 174.88 119.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.543 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -29.82 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.314 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.44 83.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.894 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 58.6 m -50.83 -25.6 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.646 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.583 HD13 ' CD ' ' B' ' 78' ' ' GLU . 9.5 tp -66.15 -29.15 69.39 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.444 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -52.35 60.72 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -68.1 -30.5 69.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.212 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.64 HD11 HD13 ' A' ' 9' ' ' LEU . 8.8 tt -64.56 -34.88 79.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.674 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -35.66 77.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.87 -44.37 93.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -31.67 65.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -79.28 -37.19 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -59.95 -32.35 70.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.22 61.5 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -99.85 -23.31 15.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -31.7 71.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.801 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -168.81 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.21 -47.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 75.0 mt 55.5 94.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -128.67 117.86 21.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -115.44 163.48 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.938 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.872 0.368 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -152.68 -47.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.446 ' HA ' ' HG2' ' A' ' 6' ' ' GLU . 6.0 tmtt? -70.49 -38.58 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -38.37 62.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 1.025 HG12 HD21 ' B' ' 89' ' ' LEU . 3.0 t -67.57 -44.91 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.71 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 3' ' ' LYS . 11.1 pt-20 -61.11 -39.3 89.47 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -48.93 77.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.885 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.901 HG21 ' HB2' ' B' ' 78' ' ' GLU . 2.4 mm -60.26 -37.1 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.168 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.706 ' CD1' HD13 ' B' ' 89' ' ' LEU . 0.6 OUTLIER -59.58 -40.58 87.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.149 179.511 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -46.26 90.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.773 HD23 ' CD2' ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.14 -37.48 85.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.846 178.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -59.34 -40.88 87.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.547 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -64.76 -46.72 80.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.435 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.65 -41.72 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.571 HG21 ' HG2' ' B' ' 71' ' ' GLN . 10.1 mt -67.5 -49.58 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -61.08 -34.48 74.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.369 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.26 -44.15 92.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.43 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.72 HD23 HD21 ' B' ' 63' ' ' LEU . 0.5 OUTLIER -60.15 -40.98 91.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.545 179.603 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.49 ' N ' HD12 ' B' ' 67' ' ' ILE . 2.6 tt0 -62.67 -46.09 89.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -60.29 -45.75 92.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.3 mtm -64.42 -39.44 93.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.606 ' HB2' HD22 ' B' ' 63' ' ' LEU . 22.8 ttpp -68.84 -45.4 71.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.7 -38.4 86.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.32 -32.31 72.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.543 ' HB3' HD12 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -72.29 -42.76 65.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HB2' HG21 ' B' ' 60' ' ' ILE . 4.6 tp10 -65.45 -38.21 89.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.9 mt -60.37 -30.23 69.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.737 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -54.76 -39.75 68.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.377 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.909 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.3 OUTLIER -74.41 -57.2 4.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.331 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.55 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.0 OUTLIER 167.52 125.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.085 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -25.87 26.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.86 0.362 . . . . 0.0 110.388 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.75 -31.44 71.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.55 ' OG ' HG23 ' A' ' 30' ' ' THR . 3.6 m -50.51 -25.22 3.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.57 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD23 HD22 ' A' ' 37' ' ' LEU . 9.6 mt -60.29 -27.01 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.727 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -53.07 61.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.001 0.429 . . . . 0.0 109.9 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.04 -31.65 70.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.799 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.775 HD12 HG12 ' B' ' 57' ' ' VAL . 4.3 tt -63.91 -38.94 92.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.8 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -50.6 31.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -33.86 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -47.26 61.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.854 ' HG3' HD22 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -69.46 -41.62 75.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.75 -28.83 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -59.21 -42.51 91.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.18 29.55 4.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.6 tp -96.83 146.82 24.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 60.37 36.9 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -168.81 87.55 0.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.84 -61.11 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -130.88 -46.44 1.03 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -133.7 162.77 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.488 ' O ' HG23 ' B' ' 57' ' ' VAL . 4.0 pm0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.76 0.315 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -82.81 -27.36 30.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -57.4 -33.73 68.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.909 ' HB3' HD11 ' A' ' 29' ' ' LEU . 19.6 mt-30 -81.83 -32.29 31.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.775 HG12 HD12 ' A' ' 37' ' ' LEU . 46.0 t -74.28 -32.76 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.774 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.675 ' HA ' HD12 ' B' ' 61' ' ' LEU . 15.6 mt-10 -71.01 -35.57 72.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.54 -36.39 76.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' A' ' 25' ' ' GLN . 44.0 mm -66.61 -42.23 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.048 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.854 HD22 ' HG3' ' A' ' 41' ' ' ARG . 6.3 mt -59.33 -34.33 72.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -59.43 -33.5 71.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.362 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.72 HD21 HD23 ' A' ' 18' ' ' LEU . 1.7 tt -68.38 -34.25 75.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.35 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.5 ' HA ' HG22 ' B' ' 67' ' ' ILE . 21.1 tt0 -55.89 -35.76 66.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -38.49 86.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -69.36 -49.41 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' B' ' 64' ' ' GLU . 7.8 tt -66.0 -34.02 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.64 -39.54 94.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -66.61 -41.0 89.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.787 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.773 ' CD2' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.79 -29.39 63.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.571 ' HG2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -72.08 -40.24 68.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -43.06 99.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 22.7 ttm -67.41 -32.08 72.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.553 ' HE3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -70.64 -47.91 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.98 -36.26 81.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.082 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -70.22 -32.73 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -73.95 -46.75 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.901 ' HB2' HG21 ' A' ' 8' ' ' ILE . 10.1 tm-20 -68.23 -31.36 70.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.786 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tt -78.16 -21.37 50.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.4 t -79.51 -46.93 16.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.684 HD12 ' N ' ' B' ' 82' ' ' THR . 1.8 pp -63.96 -55.13 24.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.684 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.2 OUTLIER 177.12 119.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -26.83 62.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.736 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.22 -33.17 74.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 19.5 m -50.7 -25.11 3.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.614 HD12 HD12 ' B' ' 89' ' ' LEU . 7.8 tp -65.56 -29.17 69.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.712 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -72.59 -35.85 68.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.762 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.25 -30.53 68.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.777 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 1.025 HD21 HG12 ' A' ' 5' ' ' VAL . 52.2 mt -62.7 -33.54 75.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -61.82 -52.22 65.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -31.29 72.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -39.29 33.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -76.35 -41.45 48.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -64.55 -43.11 94.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -78.08 62.65 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -103.42 29.53 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 tp -83.97 179.5 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 23.9 ptt85 -64.76 94.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.91 -56.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.9 tt -124.51 116.42 22.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.78 147.76 7.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -122.56 -58.34 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.929 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.815 0.34 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -76.29 -35.06 59.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -28.29 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.808 ' O ' HD13 ' A' ' 8' ' ' ILE . 22.1 mm-40 -78.35 -38.61 41.6 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.087 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.882 HG13 HD12 ' B' ' 89' ' ' LEU . 38.8 t -70.58 -33.08 51.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.078 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.36 -53.59 34.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.162 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.84 -32.44 70.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.155 0.502 . . . . 0.0 110.1 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.808 HD13 ' O ' ' A' ' 4' ' ' GLN . 1.3 mp -65.79 -48.04 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.25 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.539 HD11 ' HG ' ' B' ' 89' ' ' LEU . 1.1 mp -57.22 -40.67 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -48.55 81.26 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.197 0.522 . . . . 0.0 109.759 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.635 HD21 HD23 ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.14 -34.41 76.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.662 178.849 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.7 OUTLIER -57.96 -44.05 86.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.03 179.13 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.21 -43.72 98.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.955 179.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -44.45 83.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.376 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.541 HD13 ' HE3' ' B' ' 74' ' ' LYS . 5.0 mt -71.53 -38.02 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.691 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.15 -36.0 81.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.42 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -42.0 74.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.663 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.501 HD23 HD21 ' B' ' 63' ' ' LEU . 0.4 OUTLIER -71.0 -40.66 71.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.773 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -68.31 -34.51 76.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -68.62 -45.87 70.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.1 ptp -63.35 -37.48 87.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -64.02 -46.62 83.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.2 -39.69 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -37.69 78.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -66.61 -41.12 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.745 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.49 -45.01 77.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.7 -38.23 87.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.691 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -57.71 -32.72 67.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.659 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.868 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -73.9 -56.76 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.442 179.683 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 177.51 121.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.341 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.52 -29.31 50.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.949 0.404 . . . . 0.0 110.172 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.19 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.845 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.0 m -50.59 -25.04 3.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.606 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.745 HD22 ' OE2' ' A' ' 26' ' ' GLU . 1.4 mm? -58.5 -28.17 65.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.424 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -46.57 71.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.604 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -36.9 76.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.64 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.696 ' HG ' HD21 ' B' ' 61' ' ' LEU . 1.4 tt -66.61 -37.74 85.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.844 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -40.61 69.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.48 -36.01 81.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -79.28 -31.05 43.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -80.17 -37.78 32.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -67.63 -38.74 84.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.02 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.45 -31.35 70.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -23.23 48.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -89.35 -30.62 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 171.78 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -160.48 87.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.46 -179.19 6.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.16 153.07 20.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -155.5 144.34 20.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.747 0.308 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -130.98 -45.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -36.24 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.868 ' HB3' HD11 ' A' ' 29' ' ' LEU . 11.2 mm-40 -81.12 -32.63 33.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.553 ' CG1' HD12 ' A' ' 37' ' ' LEU . 26.3 t -74.0 -32.81 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.774 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.57 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.5 OUTLIER -62.92 -36.32 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.76 179.733 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.68 -31.63 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mm -60.94 -33.52 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.776 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.696 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.8 mm? -61.29 -45.4 94.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.679 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.42 96.95 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.689 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.501 HD21 HD23 ' A' ' 18' ' ' LEU . 1.4 tt -62.34 -34.56 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' B' ' 67' ' ' ILE . 1.1 tm-20 -58.72 -35.93 73.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.854 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -48.44 80.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -49.21 78.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.645 HD13 ' O ' ' B' ' 67' ' ' ILE . 0.0 OUTLIER -67.69 -34.49 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.1 -34.48 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.682 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -62.37 -50.02 73.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.719 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.635 HD23 HD21 ' A' ' 11' ' ' LEU . 1.4 mt -64.17 -39.51 94.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.696 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -39.49 94.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -47.61 81.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 4.1 ptp -67.1 -32.14 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.479 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.541 ' HE3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -65.89 -49.92 66.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.506 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.12 -48.83 77.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.08 -32.06 73.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.542 ' HB3' HD11 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -63.68 -46.75 84.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.708 -179.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.517 ' HG2' HG21 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -74.12 -36.45 64.2 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.597 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.779 ' O ' HD23 ' B' ' 79' ' ' LEU . 3.6 tt -74.32 -17.5 60.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m -81.12 -46.54 14.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.2 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.632 HD12 ' N ' ' B' ' 82' ' ' THR . 1.2 pp -65.83 -58.07 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.963 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.685 HG23 ' H ' ' B' ' 85' ' ' SER . 7.1 t 179.04 121.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.865 0.364 . . . . 0.0 110.775 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.78 -25.61 29.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.07 -30.78 70.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.599 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.685 ' H ' HG23 ' B' ' 82' ' ' THR . 0.6 OUTLIER -50.57 -25.36 4.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.948 0.404 . . . . 0.0 110.497 179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.59 -29.19 64.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.401 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -70.34 -61.64 1.69 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.421 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -62.45 -30.41 71.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.405 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.882 HD12 HG13 ' A' ' 5' ' ' VAL . 9.9 tt -65.05 -36.44 84.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.895 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -30.86 70.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -33.08 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -77.01 -31.84 56.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.28 -38.08 31.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.51 -28.74 68.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.991 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -63.45 -17.3 62.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.288 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -55.61 -23.27 26.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.774 0.321 . . . . 0.0 111.196 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.607 HD12 ' HD3' ' B' ' 99' ' ' ARG . 3.7 mm? -89.45 172.38 9.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -159.63 39.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.01 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.607 ' HD3' HD12 ' B' ' 97' ' ' LEU . 0.0 OUTLIER -138.12 166.83 23.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.1 mp -141.97 -48.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.92 93.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.54 90.65 3.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.789 0.328 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -116.93 -19.82 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.364 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -64.02 -31.41 72.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.76 0.314 . . . . 0.0 111.169 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.901 ' HB3' HD11 ' B' ' 81' ' ' LEU . 2.7 mt-30 -79.99 -44.27 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.078 0.466 . . . . 0.0 110.039 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.785 HG12 HD12 ' B' ' 89' ' ' LEU . 6.6 t -65.82 -35.31 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.096 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.35 -40.05 74.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.008 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -56.3 -46.75 79.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.341 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.636 HG21 ' HG2' ' B' ' 78' ' ' GLU . 6.0 mm -64.32 -40.34 88.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.464 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.923 HD13 HD11 ' B' ' 89' ' ' LEU . 1.0 OUTLIER -56.28 -44.82 80.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.881 179.433 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -41.33 94.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -62.62 -37.12 85.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.373 178.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' O ' HG12 ' A' ' 15' ' ' ILE . 2.9 tt0 -57.88 -42.65 85.04 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.854 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -32.99 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.586 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.72 -47.16 64.1 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.796 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.807 HG22 HD22 ' B' ' 70' ' ' LEU . 12.8 pt -67.71 -35.68 73.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.959 0.409 . . . . 0.0 110.537 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -45.49 71.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -40.49 94.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.249 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.916 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -69.64 -36.35 76.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.39 179.593 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HG3' HG21 ' B' ' 67' ' ' ILE . 1.5 tt0 -73.02 -36.13 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.643 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -66.89 -37.63 84.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.616 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.4 ptp -73.75 -33.19 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.425 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HB2' HD22 ' B' ' 63' ' ' LEU . 25.4 ttpp -72.47 -46.62 54.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.731 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -38.06 85.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.765 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -66.87 -37.89 85.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HB3' HD12 ' B' ' 60' ' ' ILE . 9.3 tt0 -66.15 -45.43 81.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.654 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.764 ' HB2' HG21 ' B' ' 60' ' ' ILE . 14.1 tt0 -68.55 -45.41 72.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.77 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.47 -32.6 74.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.52 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -59.53 -39.23 83.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.467 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 30' ' ' THR . 0.3 OUTLIER -66.67 -49.04 67.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.417 179.508 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 173.8 121.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.348 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -54.6 -28.77 48.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.964 0.411 . . . . 0.0 110.097 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.5 -28.99 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.813 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.5 m -50.31 -24.98 3.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.744 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 34' ' ' LEU . 2.4 mm? -59.88 -29.22 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.368 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -52.75 15.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.484 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -64.36 -37.02 86.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.757 HD11 HD13 ' B' ' 61' ' ' LEU . 1.7 tt -65.38 -40.58 93.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -50.9 70.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -62.68 -36.55 83.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.808 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -65.24 -31.72 73.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.811 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.752 ' HG2' HD21 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -59.24 -44.8 92.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.1 -25.23 51.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -26.18 55.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -23.27 37.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.01 148.73 34.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -111.41 164.56 12.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.69 121.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp -103.16 -43.99 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.812 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -94.39 155.56 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 60.79 156.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.83 ' O ' HG23 ' B' ' 57' ' ' VAL . 1.2 tp10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.829 0.347 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -76.95 -29.11 55.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -38.49 80.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.601 ' HB3' HD11 ' A' ' 29' ' ' LEU . 2.5 mt-30 -80.14 -29.2 38.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.46 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.83 HG23 ' O ' ' B' ' 53' ' ' GLU . 46.2 t -74.43 -32.83 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.793 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.18 -32.63 73.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.777 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.31 -31.55 72.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.764 HG21 ' HB2' ' A' ' 26' ' ' GLU . 22.9 mm -65.08 -40.67 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.757 HD13 HD11 ' A' ' 37' ' ' LEU . 1.4 tp -58.9 -44.84 91.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -61.5 -34.8 76.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 110.27 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.593 HD23 HD11 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -70.56 -34.5 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.329 179.395 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -57.3 -35.97 70.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.61 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -55.55 -35.01 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.59 -37.08 65.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.712 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.916 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.1 mm -76.14 -33.94 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.324 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.34 -43.07 74.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.486 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.49 -33.04 72.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.428 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.807 HD22 HG22 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -71.49 -43.16 67.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.433 179.589 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.529 ' HG3' HD12 ' A' ' 15' ' ' ILE . 1.7 mt-30 -62.4 -44.14 97.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.811 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -47.47 86.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.798 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 1.7 tpp -65.16 -32.01 73.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.332 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.646 ' HE3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -68.02 -52.42 35.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.833 179.767 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.66 -40.65 95.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.779 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -63.19 -32.28 73.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.27 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -46.72 54.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.325 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.636 ' HG2' HG21 ' A' ' 8' ' ' ILE . 8.2 mm-40 -69.53 -29.31 66.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.893 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.72 -44.03 64.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.525 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -67.05 -27.64 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.631 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.901 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -68.91 -69.57 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.757 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.677 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER 176.99 120.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.593 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.71 -28.67 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.43 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.41 74.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.95 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 74.8 m -50.54 -25.3 3.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.782 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' B' ' 86' ' ' LEU . 13.5 mt -64.72 -30.32 71.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.562 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.36 -56.79 12.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.375 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.84 -28.7 67.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.41 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.923 HD11 HD13 ' A' ' 9' ' ' LEU . 8.3 tt -70.54 -34.11 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -34.01 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.71 -43.1 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -41.37 95.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -80.35 -22.5 41.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.657 ' O ' HD23 ' B' ' 97' ' ' LEU . 16.3 t0 -73.97 -30.61 62.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.102 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -14.29 62.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.484 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.15 -23.25 67.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.669 0.271 . . . . 0.0 111.346 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.657 HD23 ' O ' ' B' ' 94' ' ' ASP . 3.2 pp -62.85 -36.14 82.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -177.52 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -69.45 162.82 26.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 6.7 mt -62.49 104.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -103.2 174.25 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.09 166.43 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.787 0.327 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -173.99 -44.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -38.77 91.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -74.47 -39.23 62.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.831 ' CG1' HD12 ' B' ' 89' ' ' LEU . 3.2 t -66.08 -37.3 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.069 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.74 -42.65 95.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.006 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -48.07 78.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.388 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.844 HG21 ' HB2' ' B' ' 78' ' ' GLU . 3.1 mm -60.92 -35.02 61.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.532 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.614 HD13 HD11 ' B' ' 89' ' ' LEU . 0.6 OUTLIER -60.48 -42.65 96.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.238 179.616 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -49.07 78.96 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -62.35 -34.38 76.55 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.541 178.596 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.03 -44.17 97.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.06 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -59.33 -44.11 92.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -48.09 78.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.627 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.603 HG13 HD22 ' B' ' 70' ' ' LEU . 3.5 mt -69.17 -36.44 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.404 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -41.33 98.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.7 -32.47 71.07 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.054 0.454 . . . . 0.0 109.925 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.52 HD12 ' HB ' ' B' ' 67' ' ' ILE . 0.1 OUTLIER -62.38 -50.54 71.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.532 179.413 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -63.71 -44.67 92.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -36.16 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.546 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.1 mtm -73.44 -34.31 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.49 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -68.13 -44.64 75.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.842 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 27' ' ' LEU . 26.5 mt-10 -67.87 -39.88 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -35.41 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.474 ' HB3' HD11 ' B' ' 60' ' ' ILE . 27.0 mt-30 -72.86 -43.66 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.726 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.26 -36.25 83.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.623 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 23' ' ' GLU . 4.2 mm? -77.76 -18.92 55.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -78.72 -46.03 19.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.968 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.636 ' O ' HG23 ' A' ' 30' ' ' THR . 1.0 OUTLIER -64.19 -44.3 92.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 0.0 110.517 179.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 175.63 119.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.688 179.609 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HG2' ' CD1' ' A' ' 27' ' ' LEU . 2.6 mt-10 -56.86 -29.81 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.018 0.437 . . . . 0.0 110.235 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.69 69.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.41 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.495 ' CB ' HG22 ' B' ' 57' ' ' VAL . 4.8 m -50.43 -25.15 3.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.914 0.388 . . . . 0.0 110.677 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.726 HD22 ' OE2' ' A' ' 26' ' ' GLU . 2.8 mm? -60.31 -30.81 69.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.596 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -68.27 -56.2 9.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.566 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -63.56 -33.02 74.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.422 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.762 ' CG ' HD21 ' B' ' 61' ' ' LEU . 10.3 tt -67.07 -44.49 79.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.849 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -69.29 -33.51 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.788 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -75.57 -31.12 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -71.14 -41.71 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -79.34 -31.32 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -77.62 -23.47 49.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -48.04 79.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.17 -23.24 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.1 43.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.68 140.6 20.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.788 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.94 167.12 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.1 -75.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.8 131.84 49.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -86.39 148.51 25.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.469 ' O ' HG23 ' B' ' 57' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -55.89 -32.8 64.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -65.22 -28.97 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.565 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -81.94 -29.98 31.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.776 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.547 ' CG1' HD12 ' A' ' 37' ' ' LEU . 5.8 t -73.86 -35.16 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.993 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.74 -34.95 76.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.64 -33.43 74.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.656 HG21 ' HB2' ' A' ' 26' ' ' GLU . 33.1 mm -70.67 -46.23 70.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.762 HD21 ' CG ' ' A' ' 37' ' ' LEU . 29.3 mt -58.17 -31.35 67.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -35.1 74.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.253 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mt -65.93 -34.1 77.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.452 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.436 ' HA ' HG22 ' B' ' 67' ' ' ILE . 4.3 tt0 -55.86 -35.82 66.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.76 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -36.61 83.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.06 -49.34 52.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.72 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.52 ' HB ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -68.09 -34.08 64.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.33 -42.16 65.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.1 -36.89 80.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.603 HD22 HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -72.75 -27.87 62.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.827 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -73.61 -28.6 61.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -65.47 -43.13 91.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -32.13 68.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.077 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.581 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -72.03 -38.71 69.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -71.14 -44.29 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -65.62 -32.24 73.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.477 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -68.52 -46.71 68.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.844 ' HB2' HG21 ' A' ' 8' ' ' ILE . 1.3 tt0 -69.66 -29.04 66.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.791 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.85 -21.19 44.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.746 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 -43.33 33.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.006 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.679 HD12 ' N ' ' B' ' 82' ' ' THR . 2.6 pp -64.99 -46.69 80.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.679 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 174.79 119.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.749 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.48 -30.29 64.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.286 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -29.55 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.019 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.632 ' OG ' HD11 ' B' ' 81' ' ' LEU . 54.0 p -50.53 -25.2 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.744 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.775 HD22 ' OE2' ' B' ' 78' ' ' GLU . 1.4 mm? -61.85 -30.08 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.64 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -50.22 59.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.56 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -69.26 -30.44 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.42 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.831 HD12 ' CG1' ' A' ' 5' ' ' VAL . 3.4 tt -67.37 -34.79 78.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.959 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -71.67 -30.38 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -69.3 -45.48 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -30.64 71.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -73.34 -30.76 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.84 -41.15 83.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.005 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -77.81 -6.99 55.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.404 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -76.77 -23.14 52.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.734 0.302 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -85.39 -55.05 4.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.831 0.348 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.11 168.85 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.23 108.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.48 -50.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.85 -173.93 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.35 171.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.894 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.707 0.289 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -173.69 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.91 -32.78 71.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -76.91 -44.28 32.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.039 0.447 . . . . 0.0 109.812 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' B' ' 85' ' ' SER . 6.2 t -66.22 -37.51 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.186 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.8 -43.14 97.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.916 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -46.44 84.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.37 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.595 HG21 ' CG ' ' B' ' 78' ' ' GLU . 2.2 mm -61.05 -40.03 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.527 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.09 -41.65 79.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.326 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -44.08 97.13 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HB3' ' HG3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -62.25 -34.61 76.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.663 179.009 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -62.33 -38.97 91.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.84 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -33.31 75.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.07 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.39 -41.23 69.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.703 HD13 ' HA ' ' B' ' 71' ' ' GLN . 12.2 mt -71.18 -47.74 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.68 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -34.41 77.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.579 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.35 -42.24 83.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.472 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.477 ' CD2' HD23 ' B' ' 63' ' ' LEU . 0.2 OUTLIER -63.35 -39.84 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.458 179.623 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -46.03 92.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.583 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -58.8 -42.36 88.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.632 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 tpp -64.4 -32.42 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -52.4 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.669 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.77 -30.6 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.656 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.92 -35.66 67.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -73.3 -38.33 65.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.775 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -38.43 64.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.797 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.3 mt -66.7 -31.84 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.771 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -58.94 -40.51 84.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.602 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -70.31 -60.69 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.536 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.533 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.1 t 173.62 126.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.445 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -54.62 -25.78 28.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.985 0.422 . . . . 0.0 110.309 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.48 75.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.17 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.559 ' HB3' HG21 ' B' ' 57' ' ' VAL . 3.7 m -50.51 -25.29 3.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.718 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.18 -26.76 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.561 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -58.63 -53.7 55.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.396 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -68.97 -31.59 70.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.332 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.703 HD12 HG12 ' B' ' 57' ' ' VAL . 8.5 tt -67.89 -35.64 78.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.65 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.17 -44.99 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.771 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.49 -31.58 69.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -43.93 57.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 -67.62 -43.05 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -64.15 -36.46 84.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -76.14 -31.86 58.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -80.61 -23.31 39.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.17 31.17 6.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.61 170.06 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.773 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -129.13 130.96 47.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 51' ' ' GLU . 3.1 pp -172.61 -178.67 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.66 127.23 17.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 65.48 -75.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.55 ' HB2' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.775 0.321 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -110.87 -19.78 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -59.09 -43.03 91.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 111.063 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.602 ' HB3' HD11 ' A' ' 29' ' ' LEU . 7.7 mt-30 -78.73 -30.19 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.343 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.703 HG12 HD12 ' A' ' 37' ' ' LEU . 26.2 t -74.2 -32.73 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.753 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.454 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -60.8 -38.15 84.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.682 179.766 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -29.52 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.727 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.64 -36.12 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.553 HD11 ' HG ' ' A' ' 37' ' ' LEU . 3.6 mm? -63.65 -34.2 77.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -63.79 -40.03 95.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -62.36 -34.52 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.406 ' HA ' HG22 ' B' ' 67' ' ' ILE . 63.6 tt0 -56.68 -47.26 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -35.11 75.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -49.51 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.572 HD13 ' O ' ' B' ' 67' ' ' ILE . 0.0 OUTLIER -68.29 -34.62 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.18 -42.33 75.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.573 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.59 -38.79 77.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.638 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.402 ' CD2' ' CD2' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -64.83 -29.72 70.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.694 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.703 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -72.57 -37.24 68.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -59.37 -42.11 90.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.8 ttm -63.87 -32.04 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.737 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.406 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.31 -52.38 54.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.06 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.55 -39.84 77.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -70.82 -32.35 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.691 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.47 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -73.68 -46.7 44.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.743 ' OE2' HD22 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -73.21 -32.67 64.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.732 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.6 tt -80.36 -17.96 50.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -82.11 -42.11 19.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.727 HD11 ' OE1' ' B' ' 78' ' ' GLU . 2.1 pp -66.51 -49.21 67.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.723 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.699 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER 179.81 119.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 179.738 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.73 -29.09 66.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.437 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.39 -30.71 70.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.154 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.473 ' HB3' HG22 ' A' ' 5' ' ' VAL . 48.3 m -50.65 -25.19 3.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.743 HD22 ' OE2' ' B' ' 78' ' ' GLU . 2.7 mm? -61.11 -30.78 70.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.42 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.49 -55.31 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.289 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -65.55 -31.16 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.238 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.589 ' O ' HD23 ' B' ' 89' ' ' LEU . 8.3 tt -63.14 -38.13 89.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.619 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -71.75 -42.73 66.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.53 -44.22 94.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.761 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -38.77 77.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.75 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -69.95 -53.88 15.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.32 -51.08 71.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -79.28 60.98 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.06 -23.21 22.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.048 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.51 176.55 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.74 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 61.39 -164.67 0.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.696 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.496 ' HB3' HD12 ' B' ' 100' ' ' LEU . 2.2 ttt-85 64.1 -178.2 0.16 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.496 HD12 ' HB3' ' B' ' 99' ' ' ARG . 2.5 mp 60.77 156.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 60.18 91.1 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -164.62 91.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.844 0.354 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -123.91 -1.5 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.586 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -69.52 -46.31 66.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.746 0.308 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.794 ' HB2' HD11 ' B' ' 81' ' ' LEU . 6.1 mm-40 -73.99 -38.94 63.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.922 HG12 HD21 ' B' ' 89' ' ' LEU . 2.3 t -65.19 -42.21 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.912 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -38.16 88.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.689 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.22 -45.38 87.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.108 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' B' ' 78' ' ' GLU . 5.4 mm -61.18 -38.91 80.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.509 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.836 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -56.37 -48.83 76.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.477 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -44.51 94.92 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.553 HD21 HD23 ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.43 -34.6 77.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.864 179.039 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.34 -44.48 96.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.189 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -60.16 -42.75 95.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.545 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.2 -49.3 78.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.419 HD11 ' HB2' ' B' ' 74' ' ' LYS . 5.3 mt -65.22 -44.3 95.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.602 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.47 -37.12 74.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.631 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.71 -41.93 74.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.574 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -67.3 -36.38 81.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.719 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -65.85 -46.49 78.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.654 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -34.37 75.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.4 tpp -67.61 -41.77 83.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -65.7 -48.93 70.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.738 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -63.66 -40.55 97.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.696 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -65.42 -32.48 74.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -72.0 -46.56 56.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.662 ' OE2' HG22 ' B' ' 57' ' ' VAL . 1.1 tm-20 -60.54 -34.53 74.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.498 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -22.71 57.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.615 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 t -74.6 -48.08 28.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 30' ' ' THR . 1.5 pp -67.0 -46.36 74.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.836 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 174.62 119.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.827 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.75 -34.92 71.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.182 0.515 . . . . 0.0 109.659 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.55 74.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.732 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.418 ' CB ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -50.62 -25.2 3.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.739 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.07 -26.2 68.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.652 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -55.69 -55.57 30.68 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.909 0.385 . . . . 0.0 110.575 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -64.44 -30.17 71.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.332 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.64 ' HG ' HD11 ' B' ' 61' ' ' LEU . 10.0 tt -64.51 -43.29 94.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.58 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -67.34 -39.14 85.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.599 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -72.82 -31.44 64.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.676 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 tpt85 -68.28 -39.43 82.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.773 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -61.67 -42.53 99.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.22 -47.9 83.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -65.5 -30.93 71.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -23.2 33.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.81 117.96 30.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.56 174.26 11.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.02 -46.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 pp -77.5 133.82 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -117.15 179.01 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.988 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -40.67 85.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -70.28 -33.2 71.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.3 -27.92 68.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -80.28 -30.79 38.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.725 HG12 ' CD2' ' B' ' 61' ' ' LEU . 20.1 t -70.26 -38.91 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.78 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.54 -33.59 60.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -28.65 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.402 HG21 ' HG2' ' A' ' 26' ' ' GLU . 27.1 mm -76.7 -35.92 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.725 ' CD2' HG12 ' B' ' 57' ' ' VAL . 3.1 mm? -62.57 -36.56 83.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.59 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -61.3 -35.07 76.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.653 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.53 -34.73 76.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' B' ' 67' ' ' ILE . 1.5 tm-20 -58.53 -35.86 72.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -37.53 78.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.682 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -69.6 -49.26 55.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.45 HD12 ' HB3' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -60.94 -34.03 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -48.89 78.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.48 -38.8 90.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.553 HD23 HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.79 -35.94 67.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.799 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.46 -36.23 65.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -66.96 -40.69 87.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 18.4 ttm -66.91 -31.97 72.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.419 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -70.78 -50.95 30.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.101 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.471 ' OE2' HD11 ' B' ' 79' ' ' LEU . 3.7 tt0 -67.59 -32.09 72.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -71.92 -33.09 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.08 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.427 ' HB3' HD12 ' A' ' 8' ' ' ILE . 9.1 tt0 -74.03 -46.81 41.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.135 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' ' 8' ' ' ILE . 1.7 tp10 -70.04 -29.1 66.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.717 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.471 HD11 ' OE2' ' B' ' 75' ' ' GLU . 7.6 mt -68.46 -40.92 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.746 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -65.07 -31.13 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.718 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.794 HD11 ' HB2' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -72.32 -70.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.817 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.739 HG23 ' HB2' ' B' ' 85' ' ' SER . 2.0 t 176.57 125.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.662 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -54.67 -26.48 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.362 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.49 -31.99 72.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.848 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.739 ' HB2' HG23 ' B' ' 82' ' ' THR . 0.2 OUTLIER -50.54 -25.16 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.744 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.48 HD23 HD12 ' B' ' 89' ' ' LEU . 35.1 mt -62.22 -28.41 69.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.587 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -43.19 78.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.547 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -62.82 -27.34 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.723 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.922 HD21 HG12 ' A' ' 5' ' ' VAL . 34.7 mt -61.2 -43.15 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.69 -53.9 52.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.02 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.25 -35.42 75.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -71.7 -47.63 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -21.68 61.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.225 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.34 -25.46 34.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.221 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -79.34 54.59 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.197 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -107.65 -23.28 12.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.93 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -169.34 0.93 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.93 103.74 13.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -123.44 -175.95 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -77.12 122.73 25.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -60.52 138.12 58.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.3 31.31 20.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.925 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.926 0.393 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -107.89 -26.38 10.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -60.3 -28.1 67.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.912 ' HB3' HD11 ' B' ' 81' ' ' LEU . 42.3 mt-30 -80.1 -44.88 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.098 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.457 ' O ' HD13 ' A' ' 9' ' ' LEU . 21.3 t -66.67 -33.95 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.279 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -68.76 -46.55 68.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.227 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.29 -36.37 73.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.235 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.816 HD11 ' CB ' ' B' ' 77' ' ' GLN . 11.5 mm -65.16 -45.03 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.571 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.809 HD11 ' CG ' ' B' ' 89' ' ' LEU . 5.8 mp -56.16 -45.88 79.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.521 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -59.94 -42.29 93.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.448 HD23 ' CD2' ' B' ' 70' ' ' LEU . 0.1 OUTLIER -63.58 -38.72 92.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.614 178.713 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.88 -39.3 74.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.035 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -65.65 -43.94 87.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.906 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.62 -43.26 99.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.398 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.683 HD12 ' HD3' ' B' ' 74' ' ' LYS . 24.3 mt -66.11 -51.48 59.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -34.52 71.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.57 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.71 -38.25 83.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.658 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.72 -50.39 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.656 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.53 -37.72 82.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.625 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -59.45 -47.35 85.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 43.7 mtm -63.69 -32.15 73.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -62.75 -49.48 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.11 -38.92 92.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -66.23 -33.15 75.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.659 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.84 -46.13 46.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.852 ' OE2' HD13 ' A' ' 37' ' ' LEU . 3.8 tt0 -63.04 -31.63 72.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.725 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -22.35 44.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.499 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -45.51 47.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 30' ' ' THR . 1.0 OUTLIER -65.23 -45.41 84.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.358 . . . . 0.0 110.615 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER 174.43 119.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.7 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.75 -28.82 61.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.78 70.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.2 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.458 ' OG ' HG22 ' B' ' 57' ' ' VAL . 27.3 m -50.59 -25.1 3.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.588 HD22 ' OE2' ' A' ' 26' ' ' GLU . 4.2 mm? -63.49 -29.31 70.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.652 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -61.73 1.69 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -31.75 71.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.543 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.852 HD13 ' OE2' ' A' ' 26' ' ' GLU . 7.6 tt -63.79 -40.46 96.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.524 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -41.01 84.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.764 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -37.51 77.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.4 ttt-85 -65.65 -42.17 91.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -34.52 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.15 -32.21 44.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -59.8 -29.38 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -96.86 24.16 6.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tp -117.7 100.03 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 61.27 102.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.76 109.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.75 142.55 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -97.36 104.89 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.22 158.27 37.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.537 ' O ' HG23 ' B' ' 57' ' ' VAL . 13.1 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.779 0.323 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -51.38 -30.53 19.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -31.81 72.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.727 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.41 ' O ' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -81.85 -30.87 31.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.717 179.725 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 37' ' ' LEU . 2.6 t -75.93 -33.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -38.22 86.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.774 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -33.17 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.662 HG21 ' HB2' ' A' ' 26' ' ' GLU . 33.0 mm -70.66 -44.73 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.743 HD13 HD11 ' A' ' 37' ' ' LEU . 1.7 tp -61.27 -39.42 90.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.74 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -40.13 93.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.465 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.61 -34.31 76.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.679 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' B' ' 67' ' ' ILE . 73.4 tt0 -55.92 -35.88 67.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -36.2 81.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.81 -49.6 44.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -67.55 -34.12 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.513 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -63.7 -43.67 95.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.81 -32.38 72.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.347 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.66 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -72.11 -40.29 68.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.471 179.673 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.679 ' HA ' HD13 ' A' ' 15' ' ' ILE . 23.6 tt0 -68.92 -46.62 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.795 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -34.25 74.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 16.4 ttt -69.79 -42.67 73.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.738 ' HG2' HG23 ' A' ' 8' ' ' ILE . 1.6 ttpp -69.05 -43.28 75.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.51 -30.46 71.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -33.49 66.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.037 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.816 ' CB ' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.9 -46.64 62.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -64.55 -40.17 95.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.631 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -47.19 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.553 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -61.88 -32.53 72.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.333 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.912 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -61.64 -63.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.577 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.837 HG23 ' HB2' ' B' ' 85' ' ' SER . 1.4 t 170.62 123.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.331 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -54.3 -27.54 36.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.422 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.58 -36.69 81.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.895 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.837 ' HB2' HG23 ' B' ' 82' ' ' THR . 0.3 OUTLIER -50.59 -25.16 3.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.644 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.673 HD12 HD13 ' B' ' 89' ' ' LEU . 3.6 tp -63.34 -29.38 70.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.427 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -53.82 48.4 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -63.23 -27.73 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.809 ' CG ' HD11 ' A' ' 9' ' ' LEU . 3.6 tt -60.87 -47.42 86.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.904 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -51.93 67.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.12 -35.44 69.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.026 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -79.48 -37.63 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -42.91 65.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -26.72 41.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.975 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.35 63.38 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -106.11 16.75 24.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.94 29.84 7.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.876 0.369 . . . . 0.0 110.759 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.12 87.98 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -66.94 160.35 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' B' ' 100' ' ' LEU . 8.3 tp -79.66 91.71 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -68.26 84.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -95.72 145.25 25.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.902 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.87 0.367 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -173.5 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -30.24 71.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.876 ' HB3' HD11 ' B' ' 81' ' ' LEU . 0.8 OUTLIER -78.55 -45.61 21.42 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.658 ' CG1' HD12 ' B' ' 89' ' ' LEU . 23.2 t -65.99 -35.15 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.83 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -65.21 -43.11 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.655 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.98 -42.28 79.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.918 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.673 HG21 ' HB2' ' B' ' 78' ' ' GLU . 45.9 mm -60.67 -42.32 91.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.19 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.495 HD11 HD21 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -60.61 -47.94 83.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.327 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -63.16 -44.1 96.43 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.556 HD21 ' CD2' ' B' ' 70' ' ' LEU . 0.9 OUTLIER -63.05 -34.34 77.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.758 178.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.475 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -60.66 -43.89 97.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.995 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -63.24 -37.58 87.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.673 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.57 -47.26 84.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.905 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.685 ' CG1' HD22 ' B' ' 70' ' ' LEU . 13.0 mt -64.32 -50.99 73.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.367 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -58.57 -34.44 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.377 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.73 -46.27 90.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.281 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.674 HD23 HD21 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -61.65 -35.89 79.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.392 179.445 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -54.44 21.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -61.81 -37.48 84.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mtm -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.566 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HG3' HG23 ' B' ' 60' ' ' ILE . 6.5 ttpm? -67.11 -49.04 66.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.45 -37.71 88.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.745 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -43.1 80.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.652 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.436 ' HB3' HD12 ' B' ' 60' ' ' ILE . 0.0 OUTLIER -65.68 -45.09 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.674 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.726 ' OE2' HD22 ' A' ' 34' ' ' LEU . 4.2 tt0 -69.85 -43.23 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.587 HD11 ' HG2' ' A' ' 31' ' ' GLU . 4.7 tp -63.99 -28.95 70.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -45.08 92.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.526 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -62.34 -51.5 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.369 179.468 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.612 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.1 t 171.22 124.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.313 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.587 ' HG2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -54.47 -25.77 27.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.353 179.73 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.98 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.067 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.612 ' OG ' HG23 ' A' ' 30' ' ' THR . 6.0 m -50.44 -24.99 3.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.726 HD22 ' OE2' ' A' ' 26' ' ' GLU . 3.3 mm? -58.35 -29.37 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.474 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -46.18 51.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.304 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -38.77 72.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.381 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.776 ' CD2' HD21 ' B' ' 61' ' ' LEU . 9.7 tt -68.09 -36.05 79.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.913 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -66.5 -50.63 62.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -62.8 -31.63 72.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.27 -31.81 43.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -69.65 -32.58 71.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -65.04 -34.35 78.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -54.25 33.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.29 -23.28 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.049 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.73 98.87 8.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.956 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -169.1 42.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 61.48 112.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mp -90.68 -31.51 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.63 142.79 51.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -131.94 -65.69 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -81.82 -22.87 36.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -33.07 59.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.83 0.348 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.808 ' HB3' HD11 ' A' ' 29' ' ' LEU . 5.7 mm-40 -81.92 -32.16 31.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.51 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.624 HG12 HD12 ' A' ' 37' ' ' LEU . 40.8 t -73.95 -32.88 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.791 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -63.09 -38.41 91.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.68 -31.84 71.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.683 HG21 ' HB2' ' A' ' 26' ' ' GLU . 41.3 mm -69.01 -42.11 81.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.776 HD21 ' CD2' ' A' ' 37' ' ' LEU . 24.9 mt -57.28 -38.99 74.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -33.72 76.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.966 0.412 . . . . 0.0 110.227 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.674 HD21 HD23 ' A' ' 18' ' ' LEU . 7.8 tt -70.16 -34.52 73.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.409 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.412 ' O ' HG22 ' B' ' 67' ' ' ILE . 5.0 tt0 -57.15 -35.85 70.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.796 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -70.72 -31.2 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.779 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -44.57 55.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.745 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.439 HD13 ' O ' ' B' ' 67' ' ' ILE . 0.0 OUTLIER -67.41 -41.98 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' B' ' 65' ' ' LYS . 16.4 pt-20 -64.96 -40.18 94.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.842 0.353 . . . . 0.0 110.586 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.75 -32.52 71.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.685 HD22 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -71.31 -35.27 71.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.632 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.685 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -75.92 -37.03 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.767 179.636 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -67.06 -36.45 82.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 23.4 ptm -73.96 -33.26 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.561 ' HD3' HD12 ' A' ' 15' ' ' ILE . 2.6 ttpp -72.78 -42.97 63.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.49 -36.54 78.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.22 -32.25 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.661 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -69.35 -46.52 66.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.281 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.673 ' HB2' HG21 ' A' ' 8' ' ' ILE . 10.8 tt0 -65.29 -40.27 93.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.896 0.379 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 tp -66.13 -44.5 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.693 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.6 t -60.4 -31.11 70.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.534 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.876 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -63.57 -65.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.638 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.657 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER 176.35 120.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.524 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -54.52 -27.97 41.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.427 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.87 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 68.6 m -50.61 -25.18 3.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.537 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.88 -30.51 70.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.446 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -67.21 -50.83 59.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.388 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -71.72 -29.73 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.402 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.658 HD12 ' CG1' ' A' ' 5' ' ' VAL . 10.1 tt -71.07 -34.1 70.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -65.47 -36.9 85.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.46 -43.68 98.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -66.72 -36.45 82.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -76.61 -36.17 57.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -34.07 75.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -79.34 56.05 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.123 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.66 26.93 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.995 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.53 104.01 16.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -100.73 83.32 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.97 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -134.43 -47.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.65 -18.51 59.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 61.5 105.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.912 0.387 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -112.01 -56.34 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.885 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -119.16 -42.68 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -29.82 68.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -75.08 -42.73 56.16 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.584 ' CG1' HD12 ' B' ' 89' ' ' LEU . 3.1 t -64.46 -38.31 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.911 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.18 -42.4 99.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.642 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.88 -42.51 84.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.231 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.71 HG21 ' HB2' ' B' ' 78' ' ' GLU . 5.3 mm -61.45 -44.26 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.484 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.566 HD11 ' HG3' ' B' ' 93' ' ' ARG . 0.3 OUTLIER -56.44 -38.93 72.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.29 179.68 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -65.19 -46.68 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -62.37 -34.5 76.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.598 178.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -59.17 -45.33 91.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.103 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -43.04 99.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.418 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' O ' HD12 ' A' ' 18' ' ' LEU . 1.3 mt-10 -59.24 -49.46 77.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.704 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.2 mt -64.47 -48.96 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.48 -34.44 74.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -40.01 92.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.375 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.948 HD23 HD23 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -63.03 -41.83 99.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.531 179.613 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.455 ' N ' HD12 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -61.43 -45.62 93.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.675 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -42.44 99.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.674 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.0 mtm -65.39 -43.16 91.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.643 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.545 ' HG3' HG23 ' B' ' 60' ' ' ILE . 23.2 ttpp -65.98 -43.47 87.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.716 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -35.98 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.697 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -71.11 -40.08 71.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.757 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.402 ' HB3' HD11 ' B' ' 60' ' ' ILE . 5.0 mm100 -67.6 -36.23 80.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.684 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.553 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.95 -45.4 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.766 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.96 -35.56 81.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -59.36 -34.96 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.675 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.854 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.2 OUTLIER -77.7 -59.85 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.799 179.792 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.32 122.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.5 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -54.49 -29.67 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.078 0.466 . . . . 0.0 110.087 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.67 -29.18 68.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.4 m -50.32 -25.16 3.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.538 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.553 HD22 ' OE2' ' A' ' 26' ' ' GLU . 3.3 mm? -57.24 -27.65 62.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.359 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -52.83 17.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.01 72.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.605 ' HG ' HD21 ' B' ' 61' ' ' LEU . 8.2 tt -69.09 -38.22 78.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -69.42 -40.1 77.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.39 -32.68 72.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -42.2 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -59.53 -40.46 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.03 -34.68 75.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -60.45 -22.94 64.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.3 -23.13 64.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -50.88 6.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.081 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 171.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.71 147.34 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -150.77 -62.86 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 169.75 17.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -175.98 144.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -143.7 -47.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -30.8 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.854 ' HB3' HD11 ' A' ' 29' ' ' LEU . 20.5 mp0 -81.43 -31.66 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.45 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.469 HG12 HD12 ' A' ' 37' ' ' LEU . 19.8 t -70.47 -32.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.492 ' HA ' HD23 ' B' ' 61' ' ' LEU . 4.1 tt0 -61.17 -44.31 97.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.47 -29.33 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.545 HG23 ' HG3' ' A' ' 22' ' ' LYS . 38.8 mm -60.24 -33.78 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.605 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.7 mm? -62.74 -39.81 95.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.663 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.77 -38.04 83.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.729 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.948 HD23 HD23 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -62.51 -34.65 77.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.677 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -35.93 82.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -37.56 73.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -69.23 -45.88 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.455 HD12 ' N ' ' A' ' 19' ' ' GLN . 11.8 tt -66.28 -35.31 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.12 -40.87 97.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -69.63 -41.17 75.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.483 HD23 HD21 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -69.55 -32.13 70.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -41.28 84.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -47.58 85.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.4 -37.78 78.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.424 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -64.41 -52.25 59.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.067 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -65.72 -38.74 90.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.064 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -33.58 70.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.416 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 27.3 mt-30 -74.13 -44.98 51.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.046 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.71 ' HB2' HG21 ' A' ' 8' ' ' ILE . 7.0 tm-20 -69.87 -32.35 70.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.813 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.46 -18.29 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.02 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -82.52 -41.62 19.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.749 HD12 ' N ' ' B' ' 82' ' ' THR . 2.7 pp -65.98 -49.97 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.992 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.749 ' N ' HD12 ' B' ' 81' ' ' LEU . 0.1 OUTLIER 172.67 119.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.782 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.53 -30.61 67.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.161 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.28 74.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.284 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' B' ' 82' ' ' THR . 0.3 OUTLIER -50.42 -25.12 3.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.656 HD23 HD13 ' B' ' 89' ' ' LEU . 8.2 mt -60.36 -29.04 68.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.492 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -59.32 -61.53 2.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.009 0.433 . . . . 0.0 110.322 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -27.37 69.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.127 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.656 HD13 HD23 ' B' ' 86' ' ' LEU . 9.4 tt -64.64 -39.62 94.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.766 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -53.64 52.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.3 -37.43 75.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -40.67 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.566 ' HG3' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -64.5 -41.59 96.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.47 -32.02 69.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -79.54 54.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.66 -23.2 12.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.987 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tp -87.47 140.04 29.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.97 -46.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -101.31 141.01 34.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.1 150.02 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.46 172.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 60.44 165.67 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.957 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -114.63 -17.44 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.349 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -64.89 -46.94 79.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.227 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.621 ' HB2' HD21 ' B' ' 81' ' ' LEU . 54.2 mm-40 -74.05 -41.98 60.95 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.256 0.551 . . . . 0.0 109.581 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.899 HG12 HD21 ' B' ' 89' ' ' LEU . 34.2 t -63.75 -35.4 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.133 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.76 -42.63 90.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.758 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.61 -44.69 77.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.959 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.579 HG21 ' HB2' ' B' ' 78' ' ' GLU . 10.7 mm -61.27 -39.85 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.315 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.77 ' CD1' HD22 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -56.2 -41.85 76.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.21 179.522 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -45.35 93.33 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.649 HD23 ' CD2' ' B' ' 70' ' ' LEU . 0.2 OUTLIER -62.19 -36.2 81.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.706 178.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -61.74 -35.86 79.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.18 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 48.6 mttt -69.4 -36.32 76.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.035 179.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.57 -32.53 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.369 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.658 ' O ' HD11 ' B' ' 67' ' ' ILE . 61.3 mt -75.86 -50.07 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.337 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -59.79 -33.91 72.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.438 179.508 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.19 -51.45 37.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.737 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.778 ' HB3' HD13 ' B' ' 67' ' ' ILE . 0.3 OUTLIER -62.37 -30.25 71.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.33 -40.67 67.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.746 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -68.62 -34.25 75.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.655 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.0 tpp -67.43 -47.5 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -61.87 -41.97 98.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.791 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.6 -40.93 89.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -67.01 -40.4 87.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -61.58 -42.19 98.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.794 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -70.92 -44.15 66.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.684 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.97 -31.49 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.631 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -59.23 -37.35 77.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' B' ' 56' ' ' GLN . 0.3 OUTLIER -72.82 -72.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.518 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.43 122.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.476 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.51 -28.94 48.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.958 0.408 . . . . 0.0 110.071 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.24 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.825 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.666 ' HB3' HG21 ' B' ' 57' ' ' VAL . 75.0 m -50.31 -25.19 3.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.04 -24.83 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -58.88 -50.46 73.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.886 0.374 . . . . 0.0 110.297 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -67.06 -33.72 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.068 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.94 HD12 HG12 ' B' ' 57' ' ' VAL . 0.3 OUTLIER -60.75 -39.64 89.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.68 179.634 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -70.58 -47.91 57.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.74 -31.21 71.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -69.89 -49.63 50.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -43.34 99.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.88 -50.31 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -31.08 69.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.71 -22.12 40.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -37.48 69.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.094 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -143.13 141.83 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.14 93.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 tp -97.69 -69.04 0.77 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.16 176.72 11.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -109.31 33.14 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 39.5 p30 -86.82 -19.5 28.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -31.18 43.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.641 ' HB3' HD11 ' A' ' 29' ' ' LEU . 14.8 mp0 -81.91 -29.29 32.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.678 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.94 HG12 HD12 ' A' ' 37' ' ' LEU . 21.8 t -75.42 -32.83 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.023 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.559 ' HA ' HD23 ' B' ' 61' ' ' LEU . 0.4 OUTLIER -63.7 -36.06 82.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.872 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -31.06 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 38.4 mm -61.5 -33.62 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.69 HD11 ' CD2' ' A' ' 37' ' ' LEU . 3.7 mm? -61.69 -40.27 94.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.805 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -38.29 82.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.608 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.92 -34.54 77.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.595 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -57.51 -36.58 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.707 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -69.47 -39.57 77.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.65 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -64.94 -44.96 87.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.658 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.778 HD13 ' HB3' ' A' ' 18' ' ' LEU . 5.7 tp -70.79 -33.98 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.623 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.3 -39.52 92.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.629 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -68.87 -40.39 79.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.555 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.649 ' CD2' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.88 -30.68 64.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.779 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.491 ' HA ' HD13 ' A' ' 15' ' ' ILE . 20.2 tt0 -74.93 -34.63 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -69.08 -43.52 74.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 3.1 ttm -61.16 -40.67 94.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.562 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -58.54 -50.04 75.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.089 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -47.94 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -35.18 78.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.354 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.404 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -73.88 -45.75 48.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.134 -179.829 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.579 ' HB2' HG21 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -73.38 -31.51 63.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.981 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.2 tt -72.83 -29.87 63.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.765 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 44.0 t -61.6 -33.47 73.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.624 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.692 ' O ' HG23 ' B' ' 82' ' ' THR . 0.9 OUTLIER -73.46 -66.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.745 179.765 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.692 HG23 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER 179.78 126.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.576 -179.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -54.57 -25.92 29.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.956 0.408 . . . . 0.0 110.266 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.51 -34.93 78.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.802 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 50.3 m -50.82 -25.22 4.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.813 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.727 HD12 HD12 ' B' ' 89' ' ' LEU . 5.1 tp -67.64 -29.44 68.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.34 -33.22 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.451 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -69.72 -28.76 66.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.899 HD21 HG12 ' A' ' 5' ' ' VAL . 65.9 mt -60.67 -44.25 96.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -56.16 -50.05 72.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.35 -39.87 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.764 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -40.36 87.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -76.98 -30.56 56.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -74.88 -14.8 60.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -79.3 1.33 25.36 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.617 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -23.35 13.8 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.725 0.298 . . . . 0.0 111.286 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.03 82.09 2.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.889 0.376 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.68 170.86 7.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -133.75 -178.49 5.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 6.4 mp -80.0 65.9 5.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -131.81 61.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.84 112.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.879 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.796 0.331 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -119.89 -39.04 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -62.13 -29.63 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.928 ' HB3' HD11 ' B' ' 81' ' ' LEU . 4.5 mp0 -78.8 -46.34 18.98 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 109.855 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.593 ' CG1' HD12 ' B' ' 89' ' ' LEU . 18.2 t -62.43 -38.62 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.01 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -41.32 92.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.795 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.75 -43.5 72.77 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.149 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.897 HG23 ' HG2' ' B' ' 74' ' ' LYS . 23.6 mm -63.99 -41.52 92.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.353 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.696 HD13 HD11 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -56.34 -41.03 75.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.178 179.603 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -63.04 -44.9 94.62 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -62.27 -35.26 78.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.358 178.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -55.85 -48.35 75.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.735 178.821 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -61.99 -33.92 75.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.804 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.3 -49.48 66.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.847 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.805 HG22 HD22 ' B' ' 70' ' ' LEU . 0.9 OUTLIER -68.66 -33.61 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.978 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -70.78 -40.64 72.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.594 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -43.03 76.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.006 0.432 . . . . 0.0 110.084 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.914 ' HB3' HD12 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -65.28 -42.16 93.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.443 179.507 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.641 ' HB2' HG21 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -63.27 -41.91 99.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.536 179.758 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -47.5 83.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.521 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.23 -34.88 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.464 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HG3' HD22 ' B' ' 63' ' ' LEU . 0.0 OUTLIER -61.13 -52.11 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.769 179.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -68.55 -31.85 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.46 -32.42 69.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -73.65 -43.7 58.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.899 ' HB2' HG21 ' B' ' 60' ' ' ILE . 1.4 tt0 -70.54 -37.24 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.738 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.69 -29.55 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.679 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -57.8 -43.43 85.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.724 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.582 HD21 ' HB2' ' B' ' 56' ' ' GLN . 0.7 OUTLIER -68.42 -60.82 2.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.503 179.704 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.532 HG23 ' OG ' ' A' ' 33' ' ' SER . 1.6 t 174.07 127.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.591 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.49 -25.71 27.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.998 0.427 . . . . 0.0 110.297 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.37 -28.99 68.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.13 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.532 ' OG ' HG23 ' A' ' 30' ' ' THR . 9.9 m -50.36 -25.16 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.764 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.42 -28.32 68.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.551 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -65.14 -58.28 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.511 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -62.8 -33.84 76.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.301 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.0 HD21 HD13 ' B' ' 61' ' ' LEU . 0.8 OUTLIER -62.79 -41.03 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.722 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -66.12 -46.28 78.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -30.73 71.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.828 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -71.37 -35.08 70.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -80.31 -39.34 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -25.66 65.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -56.77 -25.41 55.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.173 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -23.17 37.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.23 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -81.34 147.26 29.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.962 0.411 . . . . 0.0 110.805 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.87 159.81 4.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.87 -173.67 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.33 177.08 5.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 61.71 152.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -103.21 30.75 4.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.442 ' O ' HG23 ' B' ' 57' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.734 0.302 . . . . 0.0 110.756 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -57.49 -29.22 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -40.09 84.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.582 ' HB2' HD21 ' A' ' 29' ' ' LEU . 6.5 mm-40 -78.93 -28.51 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.372 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.496 HG12 ' CD1' ' A' ' 37' ' ' LEU . 54.5 t -73.58 -32.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.872 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.18 -36.48 81.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.79 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.74 -32.89 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.899 HG21 ' HB2' ' A' ' 26' ' ' GLU . 42.2 mm -66.45 -48.78 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 1.0 HD13 HD21 ' A' ' 37' ' ' LEU . 6.6 tp -57.08 -39.69 75.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.721 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.75 72.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.019 0.438 . . . . 0.0 110.297 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.572 HD23 HD11 ' B' ' 67' ' ' ILE . 5.1 tt -68.86 -34.35 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.39 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.89 -35.91 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.695 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -56.86 -31.89 65.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.644 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -73.54 -35.79 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.536 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.914 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.1 mm -79.84 -33.93 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.233 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -39.89 65.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.449 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -69.67 -33.11 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.328 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.805 HD22 HG22 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -68.09 -30.8 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.639 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.423 ' HA ' ' NZ ' ' B' ' 74' ' ' LYS . 32.7 mt-30 -73.41 -34.87 65.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -43.81 86.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' MET . . . . . . . . . . . . . 2.3 ttp -74.09 -31.95 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.818 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.897 ' HG2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -77.57 -38.21 48.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.193 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -30.47 63.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.205 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.22 -32.34 62.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.076 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.413 ' HB3' HD11 ' A' ' 8' ' ' ILE . 74.6 mt-30 -73.89 -46.66 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -34.3 74.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.633 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.4 -43.72 59.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -60.4 -32.29 71.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.928 HD11 ' HB3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -62.34 -65.81 0.63 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.286 179.468 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' B' ' 81' ' ' LEU . 1.2 t 169.98 125.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.3 -25.88 26.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.017 0.437 . . . . 0.0 110.35 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.58 -36.59 81.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.239 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -25.34 4.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.678 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.86 -29.19 70.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.339 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -45.45 86.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.983 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -29.5 60.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.075 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.696 HD11 HD13 ' A' ' 9' ' ' LEU . 8.8 tt -72.76 -39.47 66.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.92 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.79 -39.6 91.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.676 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -51.3 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -72.54 -41.91 65.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.71 -26.97 68.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -65.83 77.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.73 -23.16 15.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.458 ' H ' HD12 ' B' ' 97' ' ' LEU . 0.9 OUTLIER -65.0 145.08 56.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.804 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -102.8 -61.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -122.9 -60.47 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 7.4 tt 68.0 -68.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.32 134.68 45.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.969 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.54 -31.93 62.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.929 -179.979 . . . . . . . . 0 0 . 1 stop_ save_