data_1p0l_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 1p0l _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 ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -45.43 -27.56 0.73 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.105 -1.407 . . . . 0.0 111.749 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -39.7 83.16 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.1 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -35.3 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.049 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.18 -41.04 99.14 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.205 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -67.98 -30.58 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.991 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.12 -33.99 72.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.91 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.05 -22.14 63.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.638 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -35.78 60.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.985 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.5 m -66.93 -30.05 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.034 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -66.82 -32.87 74.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.262 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.76 -39.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -16.84 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.631 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.01 -30.83 23.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.266 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.06 -27.47 26.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.812 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -45.07 -27.87 0.63 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.82 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -68.19 -40.51 82.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.111 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -33.01 73.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.949 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.61 -40.96 98.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.227 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.66 -31.79 71.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.959 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -31.67 69.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.838 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp -70.05 -22.2 63.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.447 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -39.27 64.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.061 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.88 -30.46 71.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.926 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -31.28 72.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.62 -39.77 86.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.8 -16.83 61.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.13 -31.71 23.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.148 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.05 -27.24 26.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.849 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -43.6 -28.39 0.38 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.764 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -67.27 -44.72 78.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.096 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -31.68 71.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.898 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -35.99 82.45 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.18 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -65.26 -32.68 74.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.274 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -42.06 80.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.925 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -20.27 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.35 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.2 -31.19 62.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.853 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.3 t -65.22 -34.54 78.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.267 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -37.75 87.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -66.35 -31.39 53.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.211 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -72.44 -19.83 61.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.465 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -78.04 -30.28 49.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.334 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.54 -29.76 56.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.739 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -43.59 -28.42 0.38 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.952 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -44.23 75.9 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.136 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -62.85 -31.82 72.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.947 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.54 -34.89 79.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.249 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -66.95 -32.01 72.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.334 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -70.01 -40.31 75.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.037 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -69.99 -20.6 63.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.406 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -31.32 57.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.896 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.8 m -68.21 -31.61 71.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.192 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -38.8 80.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.338 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.7 mt -67.47 -30.86 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.121 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -75.61 -17.36 60.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.504 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -83.18 -29.23 28.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.357 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.74 -28.77 26.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -41.99 -29.59 0.23 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.943 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -48.96 64.66 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.068 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -63.16 -31.27 72.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.76 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -33.76 76.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.099 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.39 -32.48 73.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.343 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -70.04 -42.4 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.922 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.4 mt -69.25 -19.58 63.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.347 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.53 -31.85 57.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.779 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -31.73 72.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.073 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -65.48 -33.86 76.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.266 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.07 -32.2 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.338 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -73.05 -17.13 61.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.667 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -82.14 -29.79 31.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.366 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.29 -28.49 31.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.909 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -46.15 -26.48 0.77 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.81 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -69.13 -40.96 77.95 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.057 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -62.09 -32.63 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.819 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.27 -31.44 72.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.171 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -39.66 94.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.516 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -67.67 -39.33 84.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 109.881 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.93 -18.48 63.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.057 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -34.27 63.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.918 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 t -64.9 -34.55 78.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.163 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -65.04 -30.41 71.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.173 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mt -65.58 -34.98 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.355 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -71.99 -16.51 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.746 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -83.47 -33.45 25.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.291 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -85.08 -29.18 25.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.785 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 tptt . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.854 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -44.52 -28.25 0.56 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.064 -1.426 . . . . 0.0 111.721 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -67.27 -42.56 83.65 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.171 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -62.47 -34.09 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.015 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.93 -38.68 91.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.258 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.72 -29.7 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.144 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -70.01 -40.34 75.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.149 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.99 -22.45 63.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.708 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.43 -32.83 48.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.855 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 t -68.96 -29.71 68.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.028 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -36.67 80.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.396 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mt -67.11 -34.83 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.282 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -13.81 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.383 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -84.61 -34.46 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.45 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -85.1 -23.03 28.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 tttt . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -44.08 -28.49 0.49 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.786 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -42.52 84.59 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.165 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -62.54 -34.25 76.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.04 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.78 -39.15 93.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.225 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.69 -29.83 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.088 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -37.68 75.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.065 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 tp -69.99 -22.2 63.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.74 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -78.07 -34.14 50.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.855 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -67.98 -30.57 69.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.88 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -32.25 73.59 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.171 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.27 -37.03 79.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -15.43 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.661 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -84.82 -29.78 25.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.317 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.82 -27.69 28.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.787 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -46.6 -27.09 1.04 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.394 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -38.15 87.13 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.11 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -61.21 -38.07 85.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.131 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.98 -43.79 97.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.168 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -28.4 69.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.9 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -68.77 -40.61 79.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.143 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.6 -23.25 64.44 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.664 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -76.15 -31.37 58.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.669 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.9 m -65.2 -31.78 73.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.913 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -42.42 97.52 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.394 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.15 -32.51 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -74.59 -18.06 60.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.495 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -81.61 -30.46 32.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.331 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -81.45 -28.54 34.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -43.47 -28.62 0.37 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.898 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -67.45 -44.13 79.43 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.072 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -60.63 -30.87 70.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.906 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -37.23 86.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.173 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -33.54 76.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.184 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -38.62 85.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.903 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.24 -20.66 65.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.329 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -73.32 -32.0 64.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.015 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.4 t -65.76 -34.78 78.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.213 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -33.77 76.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.144 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.48 HD11 HG21 ' A' ' 15' ' ' ILE . 44.1 mt -64.64 -31.44 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.257 179.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -72.1 -18.39 61.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.683 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -30.59 34.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.582 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -84.93 -29.86 24.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.807 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -45.19 -26.78 0.52 Allowed 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.836 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -41.87 78.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.925 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -33.34 72.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.792 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.89 -43.41 98.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.154 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.55 -33.73 73.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.567 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -69.84 -35.47 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.99 -19.45 63.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.241 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -73.53 -35.79 65.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.071 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -33.91 77.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.09 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -64.38 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.085 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mt -63.74 -33.04 59.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.268 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -71.65 -16.37 62.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.802 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -83.08 -31.55 27.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.512 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.06 -27.86 26.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.2 tttt . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -46.68 -26.59 0.95 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.077 -1.42 . . . . 0.0 111.658 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -38.03 81.01 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.068 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -61.81 -33.05 73.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.944 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.04 -41.23 97.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.251 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.9 -31.78 72.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.019 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -68.38 -34.25 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.795 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -21.01 65.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.347 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -33.84 67.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.973 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -63.44 -33.2 75.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.977 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -62.09 -31.81 72.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.091 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.2 mm -61.81 -35.36 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -68.17 -18.24 64.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.64 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -30.66 48.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.382 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.81 -30.04 58.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.767 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -45.58 -28.21 0.91 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.689 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -40.13 84.31 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.128 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.12 -31.6 72.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.954 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -41.66 98.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.341 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -67.69 -31.31 71.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.044 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -70.01 -31.41 69.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.831 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -22.88 62.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.561 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.85 -35.62 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.163 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -31.22 71.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.066 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -33.27 75.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.155 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.5 mt -65.17 -34.93 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.375 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -72.72 -16.28 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -83.12 -29.92 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.246 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -28.7 36.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.85 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -43.59 -28.95 0.43 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.098 -1.41 . . . . 0.0 111.886 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -67.91 -43.24 79.69 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.071 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -31.47 71.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.926 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -38.31 90.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.352 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -32.85 74.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.24 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -36.87 75.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.954 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.07 -21.46 63.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.37 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -75.06 -31.3 61.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.943 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.0 t -67.28 -33.69 75.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.194 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -38.15 86.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.183 179.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.2 mt -64.95 -31.64 54.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.041 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -72.31 -16.97 61.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.539 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -80.54 -36.9 32.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.52 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -85.14 -25.38 27.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.009 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.933 0.397 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -44.96 -27.96 0.61 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.016 -1.447 . . . . 0.0 111.594 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -66.45 -42.03 88.21 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.152 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -61.45 -35.85 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.967 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.57 -38.36 89.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.15 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -30.52 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.069 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -43.93 73.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.068 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -20.91 64.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.312 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -29.36 56.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.681 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -66.39 -34.72 78.6 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.105 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -65.15 -41.0 95.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.205 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.432 HD12 HG23 ' A' ' 15' ' ' ILE . 41.5 mt -64.2 -29.29 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.122 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -19.57 61.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.63 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -79.34 -31.27 43.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.531 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.93 -30.5 28.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -44.32 -28.03 0.49 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.731 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -42.15 86.59 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.07 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -32.47 71.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.914 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.49 -33.34 74.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.071 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.28 -35.87 80.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.223 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.22 -47.59 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.992 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -18.73 65.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.263 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.63 -31.46 52.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.752 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -66.74 -32.47 73.8 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.121 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -33.87 76.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.307 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 15' ' ' ILE . 43.6 mt -66.76 -32.44 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.359 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.99 -17.66 60.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.669 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -82.86 -32.28 27.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.324 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -85.09 -29.06 25.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.811 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -43.96 -28.31 0.45 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.783 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -66.94 -43.48 83.09 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.171 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -62.77 -35.15 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.043 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.23 -37.76 88.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.16 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.04 -30.47 69.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.047 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -38.79 76.12 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.011 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.08 -21.42 63.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.635 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -78.18 -33.77 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.886 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 t -68.08 -30.29 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.923 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -66.95 -32.5 73.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.165 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.81 -34.84 73.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.481 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -73.37 -16.16 61.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.748 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.56 -32.04 24.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.247 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.1 -27.98 25.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.745 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 mttt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.817 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -43.91 -28.37 0.45 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.822 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -67.4 -43.27 81.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.12 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -61.6 -31.62 71.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.958 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.01 -34.66 78.51 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.267 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -34.52 78.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.329 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -67.39 -42.16 83.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.006 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -19.79 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.384 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.61 -32.2 57.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.892 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -66.81 -32.21 73.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.14 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -65.76 -35.28 80.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.3 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.5 mt -65.19 -32.74 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.293 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -73.25 -16.96 61.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.44 -29.85 30.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.434 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.61 -29.36 27.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.81 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.918 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -42.27 -29.36 0.25 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.145 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -45.08 72.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.014 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -61.58 -30.05 70.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.849 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.91 -36.5 84.16 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.316 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -34.19 77.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.326 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -68.82 -35.68 77.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.972 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.1 -20.53 63.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.511 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -75.99 -32.93 59.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.026 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 t -67.41 -31.2 71.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.108 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -33.45 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.257 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.427 HD13 HG22 ' A' ' 15' ' ' ILE . 43.2 mt -66.77 -33.55 64.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.296 179.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -73.92 -16.38 61.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.585 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -83.26 -29.91 28.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.292 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.6 -28.66 33.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -45.92 -27.51 0.91 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.517 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -66.42 -39.71 89.1 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.104 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -38.38 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.044 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.03 -40.38 95.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.151 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.23 -30.15 70.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.078 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -40.23 75.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.033 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -20.97 63.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.67 -33.07 53.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.815 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -31.32 71.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.015 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.92 -33.62 76.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.229 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -65.15 -34.42 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.439 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -72.72 -16.49 61.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.662 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -82.97 -30.1 28.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.316 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.11 -28.65 32.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.823 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.925 0.393 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.17 1.17 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.352 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.17 37.28 2.55 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.085 0.469 . . . . 0.0 111.535 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.9 -12.12 14.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -45.43 -27.56 0.73 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.105 -1.407 . . . . 0.0 111.749 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -39.7 83.16 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.1 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -35.3 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.049 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.18 -41.04 99.14 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.205 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -67.98 -30.58 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.991 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.12 -33.99 72.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.91 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.05 -22.14 63.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.638 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -35.78 60.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.985 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.5 m -66.93 -30.05 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.034 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -66.82 -32.87 74.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.262 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.76 -39.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -16.84 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.631 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.01 -30.83 23.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.266 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.06 -27.47 26.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.812 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -35.39 75.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -98.94 -4.14 33.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.374 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -104.96 38.22 1.98 Allowed 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.56 -13.14 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -45.07 -27.87 0.63 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.82 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -68.19 -40.51 82.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.111 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -33.01 73.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.949 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.61 -40.96 98.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.227 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.66 -31.79 71.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.959 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -31.67 69.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.838 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp -70.05 -22.2 63.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.447 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -39.27 64.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.061 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.88 -30.46 71.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.926 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -31.28 72.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.62 -39.77 86.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.8 -16.83 61.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.13 -31.71 23.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.148 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.05 -27.24 26.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.849 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.06 143.68 49.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.775 0.321 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -77.77 -4.82 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.449 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.8 36.83 4.29 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.062 0.458 . . . . 0.0 111.069 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.84 -12.38 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -43.6 -28.39 0.38 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.764 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -67.27 -44.72 78.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.096 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -31.68 71.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.898 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -35.99 82.45 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.18 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -65.26 -32.68 74.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.274 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -42.06 80.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.925 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -20.27 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.35 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.2 -31.19 62.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.853 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.3 t -65.22 -34.54 78.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.267 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -37.75 87.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -66.35 -31.39 53.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.211 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -72.44 -19.83 61.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.465 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -78.04 -30.28 49.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.334 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.54 -29.76 56.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.739 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 103.2 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.919 0.39 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.09 27.68 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -175.58 37.43 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.062 0.458 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t -67.61 -12.09 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 176.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -43.59 -28.42 0.38 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.952 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -44.23 75.9 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.136 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -62.85 -31.82 72.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.947 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.54 -34.89 79.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.249 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -66.95 -32.01 72.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.334 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -70.01 -40.31 75.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.037 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -69.99 -20.6 63.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.406 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -31.32 57.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.896 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.8 m -68.21 -31.61 71.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.192 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -38.8 80.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.338 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.7 mt -67.47 -30.86 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.121 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -75.61 -17.36 60.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.504 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -83.18 -29.23 28.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.357 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.74 -28.77 26.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.0 122.85 21.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.809 0.338 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.86 26.24 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 pttm 45.13 35.84 1.84 Allowed 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 121.112 0.482 . . . . 0.0 111.51 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.46 -12.76 15.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -41.99 -29.59 0.23 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.943 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -48.96 64.66 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.068 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -63.16 -31.27 72.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.76 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -33.76 76.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.099 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.39 -32.48 73.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.343 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -70.04 -42.4 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.922 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.4 mt -69.25 -19.58 63.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.347 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.53 -31.85 57.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.779 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -31.73 72.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.073 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -65.48 -33.86 76.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.266 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.07 -32.2 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.338 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -73.05 -17.13 61.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.667 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -82.14 -29.79 31.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.366 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.29 -28.49 31.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -59.87 173.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.344 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.99 25.98 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? 44.99 37.65 2.55 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.996 0.427 . . . . 0.0 111.605 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.11 -13.13 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -46.15 -26.48 0.77 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.81 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -69.13 -40.96 77.95 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.057 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -62.09 -32.63 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.819 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.27 -31.44 72.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.171 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -39.66 94.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.516 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -67.67 -39.33 84.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 109.881 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.93 -18.48 63.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.057 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -34.27 63.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.918 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 t -64.9 -34.55 78.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.163 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -65.04 -30.41 71.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.173 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mt -65.58 -34.98 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.355 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -71.99 -16.51 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.746 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -83.47 -33.45 25.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.291 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -85.08 -29.18 25.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.785 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -66.78 81.57 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.786 0.327 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.98 32.08 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.0 37.12 1.69 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.043 0.449 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.79 -12.7 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -44.52 -28.25 0.56 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.064 -1.426 . . . . 0.0 111.721 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -67.27 -42.56 83.65 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.171 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -62.47 -34.09 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.015 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.93 -38.68 91.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.258 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.72 -29.7 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.144 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -70.01 -40.34 75.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.149 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.99 -22.45 63.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.708 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.43 -32.83 48.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.855 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 t -68.96 -29.71 68.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.028 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -36.67 80.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.396 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mt -67.11 -34.83 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.282 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -13.81 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.383 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -84.61 -34.46 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.45 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -85.1 -23.03 28.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -78.84 -34.49 45.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 -3.77 44.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.449 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.75 37.7 2.08 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.078 0.466 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.09 -12.75 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -44.08 -28.49 0.49 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.786 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -42.52 84.59 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.165 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -62.54 -34.25 76.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.04 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.78 -39.15 93.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.225 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.69 -29.83 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.088 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -37.68 75.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.065 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 tp -69.99 -22.2 63.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.74 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -78.07 -34.14 50.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.855 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -67.98 -30.57 69.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.88 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -32.25 73.59 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.171 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.27 -37.03 79.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -15.43 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.661 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -84.82 -29.78 25.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.317 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.82 -27.69 28.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.787 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.15 157.15 23.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.876 0.369 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.36 38.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -143.9 39.06 1.34 Allowed 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.78 -14.1 15.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -46.6 -27.09 1.04 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.394 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -38.15 87.13 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.11 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -61.21 -38.07 85.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.131 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.98 -43.79 97.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.168 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -28.4 69.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.9 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -68.77 -40.61 79.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.143 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.6 -23.25 64.44 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.664 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -76.15 -31.37 58.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.669 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.9 m -65.2 -31.78 73.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.913 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -42.42 97.52 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.394 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.15 -32.51 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -74.59 -18.06 60.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.495 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -81.61 -30.46 32.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.331 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -81.45 -28.54 34.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -178.08 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.381 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.806 0.336 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.8 10.21 27.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -131.14 36.99 3.79 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.075 0.464 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.03 -11.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -43.47 -28.62 0.37 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.898 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -67.45 -44.13 79.43 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.072 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -60.63 -30.87 70.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.906 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -37.23 86.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.173 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -33.54 76.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.184 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -38.62 85.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.903 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.24 -20.66 65.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.329 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -73.32 -32.0 64.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.015 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.4 t -65.76 -34.78 78.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.213 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -33.77 76.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.144 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.48 HD11 HG21 ' A' ' 15' ' ' ILE . 44.1 mt -64.64 -31.44 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.257 179.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -72.1 -18.39 61.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.683 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -30.59 34.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.582 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -84.93 -29.86 24.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.807 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -59.23 2.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.853 0.359 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -99.95 31.54 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 38.96 37.13 0.19 Allowed 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.867 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.23 -11.8 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -45.19 -26.78 0.52 Allowed 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.836 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -41.87 78.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.925 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -33.34 72.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.792 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.89 -43.41 98.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.154 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.55 -33.73 73.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.567 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -69.84 -35.47 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.99 -19.45 63.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.241 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -73.53 -35.79 65.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.071 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -33.91 77.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.09 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -64.38 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.085 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mt -63.74 -33.04 59.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.268 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -71.65 -16.37 62.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.802 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -83.08 -31.55 27.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.512 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.06 -27.86 26.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -58.38 -32.31 68.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.335 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.806 0.336 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.41 19.14 11.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.04 38.14 3.7 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.59 -13.16 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -46.68 -26.59 0.95 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.077 -1.42 . . . . 0.0 111.658 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -38.03 81.01 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.068 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -61.81 -33.05 73.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.944 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.04 -41.23 97.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.251 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.9 -31.78 72.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.019 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -68.38 -34.25 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.795 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -21.01 65.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.347 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -33.84 67.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.973 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -63.44 -33.2 75.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.977 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -62.09 -31.81 72.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.091 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.2 mm -61.81 -35.36 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -68.17 -18.24 64.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.64 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -30.66 48.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.382 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.81 -30.04 58.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.767 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.44 79.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.65 30.49 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -128.93 38.14 3.98 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.9 t -65.73 -13.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -45.58 -28.21 0.91 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.689 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -40.13 84.31 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.128 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.12 -31.6 72.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.954 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -41.66 98.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.341 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -67.69 -31.31 71.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.044 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -70.01 -31.41 69.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.831 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -22.88 62.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.561 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.85 -35.62 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.163 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -31.22 71.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.066 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -33.27 75.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.155 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.5 mt -65.17 -34.93 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.375 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -72.72 -16.28 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -83.12 -29.92 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.246 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -28.7 36.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -66.97 -63.25 1.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.769 0.319 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -98.39 28.91 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.966 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.41 37.89 3.95 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.093 0.473 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.71 -12.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 176.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -43.59 -28.95 0.43 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.098 -1.41 . . . . 0.0 111.886 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -67.91 -43.24 79.69 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.071 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -31.47 71.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.926 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -38.31 90.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.352 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -32.85 74.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.24 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -36.87 75.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.954 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.07 -21.46 63.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.37 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -75.06 -31.3 61.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.943 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.0 t -67.28 -33.69 75.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.194 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -38.15 86.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.183 179.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.2 mt -64.95 -31.64 54.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.041 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -72.31 -16.97 61.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.539 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -80.54 -36.9 32.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.52 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -85.14 -25.38 27.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.009 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.91 87.04 5.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.933 0.397 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 32.23 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -129.02 38.49 3.92 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.04 -13.96 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -44.96 -27.96 0.61 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.016 -1.447 . . . . 0.0 111.594 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -66.45 -42.03 88.21 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.152 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -61.45 -35.85 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.967 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.57 -38.36 89.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.15 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -30.52 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.069 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -43.93 73.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.068 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -20.91 64.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.312 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -29.36 56.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.681 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -66.39 -34.72 78.6 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.105 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -65.15 -41.0 95.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.205 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.432 HD12 HG23 ' A' ' 15' ' ' ILE . 41.5 mt -64.2 -29.29 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.122 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -19.57 61.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.63 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -79.34 -31.27 43.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.531 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.93 -30.5 28.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.55 101.96 5.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.359 -0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.772 0.32 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 53.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.8 38.93 1.15 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.293 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.88 -11.97 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -44.32 -28.03 0.49 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.731 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -42.15 86.59 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.07 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -32.47 71.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.914 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.49 -33.34 74.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.071 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.28 -35.87 80.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.223 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.22 -47.59 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.992 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -18.73 65.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.263 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.63 -31.46 52.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.752 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -66.74 -32.47 73.8 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.121 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -33.87 76.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.307 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 15' ' ' ILE . 43.6 mt -66.76 -32.44 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.359 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.99 -17.66 60.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.669 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -82.86 -32.28 27.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.324 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -85.09 -29.06 25.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.811 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -72.32 -37.2 68.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.349 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.901 0.382 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -100.08 31.28 3.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -102.11 38.12 1.73 Allowed 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 111.196 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.31 -12.86 15.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -43.96 -28.31 0.45 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.783 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -66.94 -43.48 83.09 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.171 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -62.77 -35.15 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.043 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.23 -37.76 88.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.16 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.04 -30.47 69.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.047 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -38.79 76.12 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.011 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.08 -21.42 63.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.635 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -78.18 -33.77 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.886 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 t -68.08 -30.29 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.923 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -66.95 -32.5 73.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.165 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.81 -34.84 73.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.481 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -73.37 -16.16 61.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.748 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.56 -32.04 24.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.247 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.1 -27.98 25.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.745 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -68.58 120.85 15.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.817 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.858 0.361 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -91.0 -9.29 46.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.387 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -176.39 37.95 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.042 0.448 . . . . 0.0 111.035 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.17 -12.69 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -43.91 -28.37 0.45 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.822 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -67.4 -43.27 81.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.12 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -61.6 -31.62 71.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.958 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.01 -34.66 78.51 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.267 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -34.52 78.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.329 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -67.39 -42.16 83.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.006 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -19.79 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.384 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.61 -32.2 57.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.892 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -66.81 -32.21 73.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.14 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -65.76 -35.28 80.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.3 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.5 mt -65.19 -32.74 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.293 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -73.25 -16.96 61.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.44 -29.85 30.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.434 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.61 -29.36 27.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.81 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -85.02 58.17 4.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.808 0.337 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -98.21 23.69 8.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -158.88 35.87 0.22 Allowed 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.137 0.494 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.99 -10.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -42.27 -29.36 0.25 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.145 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -45.08 72.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.014 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -61.58 -30.05 70.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.849 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.91 -36.5 84.16 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.316 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -34.19 77.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.326 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -68.82 -35.68 77.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.972 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.1 -20.53 63.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.511 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -75.99 -32.93 59.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.026 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 t -67.41 -31.2 71.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.108 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -33.45 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.257 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.427 HD13 HG22 ' A' ' 15' ' ' ILE . 43.2 mt -66.77 -33.55 64.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.296 179.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -73.92 -16.38 61.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.585 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -83.26 -29.91 28.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.292 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.6 -28.66 33.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.35 84.47 3.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.682 0.277 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -100.22 -3.74 30.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.482 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -170.19 38.44 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.417 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.34 -12.52 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 176.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -45.92 -27.51 0.91 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.517 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -66.42 -39.71 89.1 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.104 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -38.38 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.044 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.03 -40.38 95.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.151 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.23 -30.15 70.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.078 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -40.23 75.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.033 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -20.97 63.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.67 -33.07 53.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.815 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -31.32 71.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.015 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.92 -33.62 76.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.229 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -65.15 -34.42 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.439 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -72.72 -16.49 61.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.662 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -82.97 -30.1 28.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.316 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.11 -28.65 32.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.823 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -68.03 0.62 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -45.43 -27.56 0.73 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.105 -1.407 . . . . 0.0 111.749 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -39.7 83.16 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.1 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -35.3 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.049 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.18 -41.04 99.14 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.205 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -67.98 -30.58 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.991 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.12 -33.99 72.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.91 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.05 -22.14 63.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.638 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -35.78 60.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.985 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.5 m -66.93 -30.05 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.034 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -66.82 -32.87 74.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.262 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.76 -39.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -16.84 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.631 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.01 -30.83 23.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.266 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.06 -27.47 26.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.812 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.629 ' HA ' HD12 ' A' ' 8' ' ' LEU . 53.7 t80 -45.07 -27.87 0.63 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.82 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -68.19 -40.51 82.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.111 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -33.01 73.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.949 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 5' ' ' PHE . 1.3 mt -62.61 -40.96 98.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.227 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.66 -31.79 71.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.959 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -31.67 69.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.838 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp -70.05 -22.2 63.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.447 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -73.77 -39.27 64.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.061 179.288 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.88 -30.46 71.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.926 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -31.28 72.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' A' ' 12' ' ' PHE . 53.8 mt -65.62 -39.77 86.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.8 -16.83 61.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.13 -31.71 23.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.148 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.05 -27.24 26.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.849 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -43.6 -28.39 0.38 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.764 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -67.27 -44.72 78.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.096 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -31.68 71.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.898 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -35.99 82.45 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.18 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -65.26 -32.68 74.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.274 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -42.06 80.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.925 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -20.27 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.35 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.2 -31.19 62.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.853 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.3 t -65.22 -34.54 78.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.267 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -37.75 87.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -66.35 -31.39 53.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.211 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -72.44 -19.83 61.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.465 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -78.04 -30.28 49.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.334 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.54 -29.76 56.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.739 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' A' ' 8' ' ' LEU . 15.7 t80 -43.59 -28.42 0.38 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.952 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -44.23 75.9 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.136 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -62.85 -31.82 72.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.947 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 5' ' ' PHE . 16.4 mt -65.54 -34.89 79.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.249 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -66.95 -32.01 72.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.334 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -70.01 -40.31 75.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.037 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -69.99 -20.6 63.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.406 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -31.32 57.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.896 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.8 m -68.21 -31.61 71.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.192 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -38.8 80.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.338 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.7 mt -67.47 -30.86 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.121 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -75.61 -17.36 60.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.504 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -83.18 -29.23 28.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.357 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.74 -28.77 26.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -41.99 -29.59 0.23 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.943 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -48.96 64.66 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.068 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -63.16 -31.27 72.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.76 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -33.76 76.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.099 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.39 -32.48 73.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.343 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -70.04 -42.4 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.922 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.4 mt -69.25 -19.58 63.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.347 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.53 -31.85 57.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.779 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -31.73 72.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.073 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -65.48 -33.86 76.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.266 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.07 -32.2 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.338 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -73.05 -17.13 61.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.667 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -82.14 -29.79 31.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.366 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.29 -28.49 31.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.909 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.621 ' HA ' HD12 ' A' ' 8' ' ' LEU . 52.6 t80 -46.15 -26.48 0.77 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.81 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -69.13 -40.96 77.95 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.057 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -62.09 -32.63 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.819 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 5' ' ' PHE . 14.6 mt -62.27 -31.44 72.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.171 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -39.66 94.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.516 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -67.67 -39.33 84.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 109.881 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.93 -18.48 63.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.057 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -34.27 63.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.918 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 t -64.9 -34.55 78.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.163 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -65.04 -30.41 71.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.173 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mt -65.58 -34.98 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.355 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -71.99 -16.51 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.746 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -83.47 -33.45 25.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.291 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -85.08 -29.18 25.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.785 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 tptt . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.854 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -44.52 -28.25 0.56 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.064 -1.426 . . . . 0.0 111.721 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -67.27 -42.56 83.65 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.171 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -62.47 -34.09 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.015 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.93 -38.68 91.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.258 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.72 -29.7 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.144 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -70.01 -40.34 75.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.149 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.411 ' HA ' HD13 ' A' ' 11' ' ' LEU . 3.3 mm? -69.99 -22.45 63.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.708 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.43 -32.83 48.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.855 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 t -68.96 -29.71 68.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.028 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -36.67 80.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.396 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mt -67.11 -34.83 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.282 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -13.81 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.383 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -84.61 -34.46 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.45 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -85.1 -23.03 28.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 tttt . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -44.08 -28.49 0.49 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.786 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -42.52 84.59 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.165 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -62.54 -34.25 76.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.04 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.78 -39.15 93.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.225 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.69 -29.83 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.088 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -37.68 75.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.065 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 tp -69.99 -22.2 63.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.74 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -78.07 -34.14 50.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.855 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -67.98 -30.57 69.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.88 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -32.25 73.59 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.171 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.27 -37.03 79.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -15.43 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.661 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -84.82 -29.78 25.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.317 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.82 -27.69 28.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.787 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -46.6 -27.09 1.04 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.394 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -38.15 87.13 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.11 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -61.21 -38.07 85.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.131 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.98 -43.79 97.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.168 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -28.4 69.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.9 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -68.77 -40.61 79.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.143 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.6 -23.25 64.44 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.664 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -76.15 -31.37 58.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.669 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.9 m -65.2 -31.78 73.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.913 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -42.42 97.52 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.394 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.15 -32.51 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -74.59 -18.06 60.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.495 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -81.61 -30.46 32.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.331 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -81.45 -28.54 34.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -43.47 -28.62 0.37 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.898 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -67.45 -44.13 79.43 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.072 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -60.63 -30.87 70.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.906 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -37.23 86.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.173 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -33.54 76.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.184 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -38.62 85.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.903 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.24 -20.66 65.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.329 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -73.32 -32.0 64.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.015 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.4 t -65.76 -34.78 78.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.213 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -33.77 76.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.144 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.64 -31.44 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.257 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -72.1 -18.39 61.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.683 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -30.59 34.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.582 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -84.93 -29.86 24.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.807 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -45.19 -26.78 0.52 Allowed 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.836 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -41.87 78.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.925 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -33.34 72.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.792 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.89 -43.41 98.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.154 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.55 -33.73 73.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.567 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -69.84 -35.47 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.99 -19.45 63.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.241 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -73.53 -35.79 65.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.071 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -33.91 77.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.09 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -64.38 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.085 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mt -63.74 -33.04 59.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.268 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -71.65 -16.37 62.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.802 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -83.08 -31.55 27.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.512 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.06 -27.86 26.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.2 tttt . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 8' ' ' LEU . 18.1 t80 -46.68 -26.59 0.95 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.077 -1.42 . . . . 0.0 111.658 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -38.03 81.01 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.068 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -61.81 -33.05 73.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.944 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 5' ' ' PHE . 1.6 mt -62.04 -41.23 97.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.251 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.9 -31.78 72.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.019 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -68.38 -34.25 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.795 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -21.01 65.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.347 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -33.84 67.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.973 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -63.44 -33.2 75.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.977 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -62.09 -31.81 72.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.091 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.2 mm -61.81 -35.36 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -68.17 -18.24 64.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.64 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -30.66 48.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.382 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.81 -30.04 58.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.767 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.594 HG13 HH11 ' A' ' 7' ' ' ARG . 39.9 t . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -45.58 -28.21 0.91 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.689 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -40.13 84.31 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.128 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.594 HH11 HG13 ' A' ' 4' ' ' VAL . 1.1 mpt_? -62.12 -31.6 72.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.954 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -41.66 98.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.341 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -67.69 -31.31 71.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.044 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -70.01 -31.41 69.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.831 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -22.88 62.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.561 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.85 -35.62 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.163 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -31.22 71.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.066 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -33.27 75.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.155 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.5 mt -65.17 -34.93 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.375 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -72.72 -16.28 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -83.12 -29.92 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.246 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -28.7 36.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.85 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -43.59 -28.95 0.43 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.098 -1.41 . . . . 0.0 111.886 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -67.91 -43.24 79.69 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.071 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -31.47 71.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.926 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -63.94 -38.31 90.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.352 179.457 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -32.85 74.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.24 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -36.87 75.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.954 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.07 -21.46 63.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.37 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -75.06 -31.3 61.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.943 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.0 t -67.28 -33.69 75.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.194 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -38.15 86.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.183 179.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.2 mt -64.95 -31.64 54.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.041 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -72.31 -16.97 61.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.539 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -80.54 -36.9 32.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.52 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -85.14 -25.38 27.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.009 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.933 0.397 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -44.96 -27.96 0.61 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.016 -1.447 . . . . 0.0 111.594 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -66.45 -42.03 88.21 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.152 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -61.45 -35.85 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.967 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.57 -38.36 89.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.15 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -30.52 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.069 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -43.93 73.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.068 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -20.91 64.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.312 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -29.36 56.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.681 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -66.39 -34.72 78.6 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.105 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -65.15 -41.0 95.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.205 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.5 mt -64.2 -29.29 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.122 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -19.57 61.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.63 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -79.34 -31.27 43.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.531 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.93 -30.5 28.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -44.32 -28.03 0.49 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.731 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -42.15 86.59 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.07 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -32.47 71.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.914 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.49 -33.34 74.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.071 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.28 -35.87 80.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.223 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.22 -47.59 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.992 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -18.73 65.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.263 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.63 -31.46 52.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.752 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -66.74 -32.47 73.8 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.121 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -33.87 76.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.307 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.76 -32.44 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.359 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.99 -17.66 60.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.669 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -82.86 -32.28 27.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.324 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -85.09 -29.06 25.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.811 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -43.96 -28.31 0.45 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.783 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -66.94 -43.48 83.09 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.171 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -62.77 -35.15 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.043 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.693 ' HA ' HD12 ' A' ' 11' ' ' LEU . 5.5 tp -65.23 -37.76 88.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.16 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.04 -30.47 69.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.047 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -38.79 76.12 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.011 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 8' ' ' LEU . 4.8 mt -70.08 -21.42 63.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.635 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -78.18 -33.77 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.886 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 t -68.08 -30.29 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.923 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -66.95 -32.5 73.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.165 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.613 HG22 ' HD2' ' A' ' 19' ' ' LYS . 36.1 mt -65.81 -34.84 73.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.481 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -73.37 -16.16 61.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.748 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.56 -32.04 24.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.247 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.1 -27.98 25.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.745 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.613 ' HD2' HG22 ' A' ' 15' ' ' ILE . 4.2 mttt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.817 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -43.91 -28.37 0.45 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.822 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -67.4 -43.27 81.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.12 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -61.6 -31.62 71.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.958 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.01 -34.66 78.51 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.267 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -34.52 78.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.329 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -67.39 -42.16 83.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.006 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -19.79 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.384 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.61 -32.2 57.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.892 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -66.81 -32.21 73.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.14 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -65.76 -35.28 80.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.3 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.5 mt -65.19 -32.74 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.293 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -73.25 -16.96 61.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.44 -29.85 30.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.434 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.61 -29.36 27.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.81 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.918 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -42.27 -29.36 0.25 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.145 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -45.08 72.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.014 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -61.58 -30.05 70.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.849 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.91 -36.5 84.16 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.316 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -34.19 77.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.326 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -68.82 -35.68 77.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.972 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.1 -20.53 63.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.511 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -75.99 -32.93 59.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.026 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 t -67.41 -31.2 71.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.108 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -33.45 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.257 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mt -66.77 -33.55 64.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.296 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -73.92 -16.38 61.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.585 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -83.26 -29.91 28.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.292 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.6 -28.66 33.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -45.92 -27.51 0.91 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.517 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -66.42 -39.71 89.1 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.104 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -38.38 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.044 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.03 -40.38 95.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.151 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.23 -30.15 70.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.078 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -40.23 75.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.033 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -20.97 63.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.67 -33.07 53.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.815 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -31.32 71.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.015 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.92 -33.62 76.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.229 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -65.15 -34.42 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.439 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -72.72 -16.49 61.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.662 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -82.97 -30.1 28.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.316 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.11 -28.65 32.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.823 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.925 0.393 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.17 1.17 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.352 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.17 37.28 2.55 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.085 0.469 . . . . 0.0 111.535 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.9 -12.12 14.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -45.43 -27.56 0.73 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.105 -1.407 . . . . 0.0 111.749 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -39.7 83.16 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.1 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -35.3 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.049 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.18 -41.04 99.14 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.205 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -67.98 -30.58 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.991 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.12 -33.99 72.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.91 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.05 -22.14 63.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.638 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -35.78 60.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.985 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.5 m -66.93 -30.05 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.034 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -66.82 -32.87 74.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.262 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.76 -39.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -16.84 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.631 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.01 -30.83 23.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.266 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.06 -27.47 26.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.812 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -35.39 75.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -98.94 -4.14 33.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.374 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -104.96 38.22 1.98 Allowed 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.56 -13.14 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.629 ' HA ' HD12 ' A' ' 8' ' ' LEU . 53.7 t80 -45.07 -27.87 0.63 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.82 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -68.19 -40.51 82.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.111 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -33.01 73.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.949 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 5' ' ' PHE . 1.3 mt -62.61 -40.96 98.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.227 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.66 -31.79 71.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.959 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -31.67 69.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.838 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp -70.05 -22.2 63.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.447 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -73.77 -39.27 64.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.061 179.288 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.88 -30.46 71.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.926 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -31.28 72.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' A' ' 12' ' ' PHE . 53.8 mt -65.62 -39.77 86.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.8 -16.83 61.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.13 -31.71 23.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.148 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.05 -27.24 26.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.849 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.06 143.68 49.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.775 0.321 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -77.77 -4.82 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.449 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.8 36.83 4.29 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.062 0.458 . . . . 0.0 111.069 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.84 -12.38 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -43.6 -28.39 0.38 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.764 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -67.27 -44.72 78.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.096 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -31.68 71.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.898 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -35.99 82.45 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.18 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -65.26 -32.68 74.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.274 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -42.06 80.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.925 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -20.27 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.35 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.2 -31.19 62.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.853 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.3 t -65.22 -34.54 78.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.267 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -37.75 87.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -66.35 -31.39 53.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.211 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -72.44 -19.83 61.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.465 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -78.04 -30.28 49.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.334 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.54 -29.76 56.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.739 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 103.2 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.659 ' HB1' ' CG2' ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.919 0.39 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.09 27.68 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -175.58 37.43 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.062 0.458 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.659 ' CG2' ' HB1' ' A' ' 1' ' ' ALA . 44.6 t -67.61 -12.09 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' A' ' 8' ' ' LEU . 15.7 t80 -43.59 -28.42 0.38 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.952 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -44.23 75.9 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.136 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -62.85 -31.82 72.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.947 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 5' ' ' PHE . 16.4 mt -65.54 -34.89 79.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.249 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -66.95 -32.01 72.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.334 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -70.01 -40.31 75.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.037 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -69.99 -20.6 63.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.406 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -31.32 57.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.896 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.8 m -68.21 -31.61 71.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.192 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -38.8 80.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.338 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.7 mt -67.47 -30.86 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.121 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -75.61 -17.36 60.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.504 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -83.18 -29.23 28.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.357 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.74 -28.77 26.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.0 122.85 21.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.809 0.338 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.86 26.24 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 pttm 45.13 35.84 1.84 Allowed 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 121.112 0.482 . . . . 0.0 111.51 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.46 -12.76 15.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -41.99 -29.59 0.23 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.943 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -48.96 64.66 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.068 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -63.16 -31.27 72.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.76 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -33.76 76.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.099 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.39 -32.48 73.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.343 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -70.04 -42.4 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.922 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.4 mt -69.25 -19.58 63.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.347 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.53 -31.85 57.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.779 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -31.73 72.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.073 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -65.48 -33.86 76.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.266 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.07 -32.2 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.338 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -73.05 -17.13 61.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.667 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -82.14 -29.79 31.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.366 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.29 -28.49 31.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -59.87 173.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.344 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.99 25.98 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? 44.99 37.65 2.55 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.996 0.427 . . . . 0.0 111.605 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.11 -13.13 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.621 ' HA ' HD12 ' A' ' 8' ' ' LEU . 52.6 t80 -46.15 -26.48 0.77 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.81 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -69.13 -40.96 77.95 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.057 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -62.09 -32.63 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.819 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 5' ' ' PHE . 14.6 mt -62.27 -31.44 72.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.171 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -39.66 94.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.516 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -67.67 -39.33 84.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 109.881 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.93 -18.48 63.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.057 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -34.27 63.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.918 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 t -64.9 -34.55 78.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.163 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -65.04 -30.41 71.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.173 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mt -65.58 -34.98 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.355 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -71.99 -16.51 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.746 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -83.47 -33.45 25.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.291 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -85.08 -29.18 25.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.785 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -66.78 81.57 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.786 0.327 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.98 32.08 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.0 37.12 1.69 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.043 0.449 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.79 -12.7 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -44.52 -28.25 0.56 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.064 -1.426 . . . . 0.0 111.721 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -67.27 -42.56 83.65 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.171 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -62.47 -34.09 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.015 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.93 -38.68 91.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.258 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.72 -29.7 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.144 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -70.01 -40.34 75.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.149 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' HA ' HD13 ' A' ' 11' ' ' LEU . 3.3 mm? -69.99 -22.45 63.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.708 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.43 -32.83 48.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.855 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 t -68.96 -29.71 68.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.028 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -36.67 80.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.396 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mt -67.11 -34.83 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.282 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -13.81 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.383 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -84.61 -34.46 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.45 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -85.1 -23.03 28.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -78.84 -34.49 45.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 -3.77 44.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.449 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.75 37.7 2.08 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.078 0.466 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.09 -12.75 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -44.08 -28.49 0.49 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.786 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -42.52 84.59 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.165 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -62.54 -34.25 76.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.04 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.78 -39.15 93.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.225 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.69 -29.83 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.088 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -37.68 75.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.065 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 tp -69.99 -22.2 63.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.74 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -78.07 -34.14 50.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.855 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -67.98 -30.57 69.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.88 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -32.25 73.59 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.171 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.27 -37.03 79.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -15.43 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.661 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -84.82 -29.78 25.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.317 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.82 -27.69 28.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.787 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.15 157.15 23.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.876 0.369 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.36 38.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -143.9 39.06 1.34 Allowed 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.78 -14.1 15.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -46.6 -27.09 1.04 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.394 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -38.15 87.13 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.11 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -61.21 -38.07 85.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.131 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.98 -43.79 97.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.168 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -28.4 69.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.9 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -68.77 -40.61 79.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.143 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.6 -23.25 64.44 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.664 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -76.15 -31.37 58.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.669 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.9 m -65.2 -31.78 73.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.913 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -42.42 97.52 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.394 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.15 -32.51 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -74.59 -18.06 60.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.495 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -81.61 -30.46 32.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.331 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -81.45 -28.54 34.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -178.08 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.381 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.806 0.336 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.8 10.21 27.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -131.14 36.99 3.79 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.075 0.464 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.03 -11.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -43.47 -28.62 0.37 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.898 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -67.45 -44.13 79.43 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.072 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -60.63 -30.87 70.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.906 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -37.23 86.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.173 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -33.54 76.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.184 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -38.62 85.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.903 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.24 -20.66 65.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.329 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -73.32 -32.0 64.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.015 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.4 t -65.76 -34.78 78.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.213 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -33.77 76.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.144 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.64 -31.44 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.257 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -72.1 -18.39 61.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.683 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -30.59 34.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.582 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -84.93 -29.86 24.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.807 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -59.23 2.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.853 0.359 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -99.95 31.54 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 38.96 37.13 0.19 Allowed 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.867 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.23 -11.8 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -45.19 -26.78 0.52 Allowed 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.836 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -41.87 78.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.925 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -33.34 72.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.792 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.89 -43.41 98.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.154 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.55 -33.73 73.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.567 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -69.84 -35.47 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.99 -19.45 63.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.241 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -73.53 -35.79 65.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.071 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -33.91 77.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.09 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -64.38 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.085 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mt -63.74 -33.04 59.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.268 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -71.65 -16.37 62.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.802 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -83.08 -31.55 27.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.512 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.06 -27.86 26.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -58.38 -32.31 68.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.335 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.806 0.336 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.41 19.14 11.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.04 38.14 3.7 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.59 -13.16 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 8' ' ' LEU . 18.1 t80 -46.68 -26.59 0.95 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.077 -1.42 . . . . 0.0 111.658 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -38.03 81.01 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.068 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -61.81 -33.05 73.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.944 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 5' ' ' PHE . 1.6 mt -62.04 -41.23 97.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.251 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.9 -31.78 72.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.019 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -68.38 -34.25 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.795 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -21.01 65.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.347 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -33.84 67.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.973 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -63.44 -33.2 75.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.977 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -62.09 -31.81 72.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.091 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.2 mm -61.81 -35.36 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -68.17 -18.24 64.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.64 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -30.66 48.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.382 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.81 -30.04 58.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.767 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.44 79.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.65 30.49 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -128.93 38.14 3.98 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.594 HG13 HH11 ' A' ' 7' ' ' ARG . 39.9 t -65.73 -13.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -45.58 -28.21 0.91 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.689 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -40.13 84.31 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.128 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.594 HH11 HG13 ' A' ' 4' ' ' VAL . 1.1 mpt_? -62.12 -31.6 72.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.954 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -41.66 98.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.341 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -67.69 -31.31 71.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.044 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -70.01 -31.41 69.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.831 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -22.88 62.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.561 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.85 -35.62 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.163 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -31.22 71.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.066 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -33.27 75.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.155 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.5 mt -65.17 -34.93 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.375 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -72.72 -16.28 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -83.12 -29.92 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.246 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -28.7 36.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -66.97 -63.25 1.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.769 0.319 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -98.39 28.91 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.966 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.41 37.89 3.95 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.093 0.473 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.71 -12.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 176.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -43.59 -28.95 0.43 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.098 -1.41 . . . . 0.0 111.886 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -67.91 -43.24 79.69 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.071 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -31.47 71.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.926 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -63.94 -38.31 90.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.352 179.457 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -32.85 74.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.24 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -36.87 75.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.954 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.07 -21.46 63.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.37 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -75.06 -31.3 61.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.943 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.0 t -67.28 -33.69 75.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.194 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -38.15 86.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.183 179.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.2 mt -64.95 -31.64 54.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.041 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -72.31 -16.97 61.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.539 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -80.54 -36.9 32.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.52 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -85.14 -25.38 27.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.009 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.91 87.04 5.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.933 0.397 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 32.23 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -129.02 38.49 3.92 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.04 -13.96 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -44.96 -27.96 0.61 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.016 -1.447 . . . . 0.0 111.594 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -66.45 -42.03 88.21 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.152 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -61.45 -35.85 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.967 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.57 -38.36 89.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.15 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -30.52 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.069 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -43.93 73.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.068 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -20.91 64.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.312 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -29.36 56.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.681 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -66.39 -34.72 78.6 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.105 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -65.15 -41.0 95.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.205 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.5 mt -64.2 -29.29 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.122 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -19.57 61.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.63 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -79.34 -31.27 43.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.531 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.93 -30.5 28.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.55 101.96 5.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.359 -0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.772 0.32 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 53.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.8 38.93 1.15 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.293 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.88 -11.97 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -44.32 -28.03 0.49 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.731 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -42.15 86.59 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.07 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -32.47 71.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.914 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.49 -33.34 74.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.071 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.28 -35.87 80.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.223 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.22 -47.59 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.992 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -18.73 65.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.263 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.63 -31.46 52.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.752 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -66.74 -32.47 73.8 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.121 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -33.87 76.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.307 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.76 -32.44 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.359 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.99 -17.66 60.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.669 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -82.86 -32.28 27.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.324 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -85.09 -29.06 25.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.811 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -72.32 -37.2 68.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.349 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.901 0.382 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -100.08 31.28 3.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -102.11 38.12 1.73 Allowed 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 111.196 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.31 -12.86 15.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -43.96 -28.31 0.45 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.783 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -66.94 -43.48 83.09 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.171 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -62.77 -35.15 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.043 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.693 ' HA ' HD12 ' A' ' 11' ' ' LEU . 5.5 tp -65.23 -37.76 88.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.16 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.04 -30.47 69.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.047 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -38.79 76.12 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.011 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 8' ' ' LEU . 4.8 mt -70.08 -21.42 63.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.635 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -78.18 -33.77 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.886 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 t -68.08 -30.29 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.923 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -66.95 -32.5 73.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.165 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.613 HG22 ' HD2' ' A' ' 19' ' ' LYS . 36.1 mt -65.81 -34.84 73.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.481 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -73.37 -16.16 61.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.748 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.56 -32.04 24.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.247 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.1 -27.98 25.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.745 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.613 ' HD2' HG22 ' A' ' 15' ' ' ILE . 4.2 mttt -68.58 120.85 15.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.817 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.504 ' HA ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.858 0.361 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -91.0 -9.29 46.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.387 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -176.39 37.95 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.042 0.448 . . . . 0.0 111.035 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.504 HG23 ' HA ' ' A' ' 1' ' ' ALA . 43.9 t -66.17 -12.69 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -43.91 -28.37 0.45 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.822 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -67.4 -43.27 81.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.12 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -61.6 -31.62 71.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.958 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.01 -34.66 78.51 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.267 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -34.52 78.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.329 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -67.39 -42.16 83.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.006 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -19.79 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.384 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.61 -32.2 57.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.892 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -66.81 -32.21 73.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.14 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -65.76 -35.28 80.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.3 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.5 mt -65.19 -32.74 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.293 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -73.25 -16.96 61.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.44 -29.85 30.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.434 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.61 -29.36 27.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.81 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -85.02 58.17 4.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.808 0.337 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -98.21 23.69 8.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -158.88 35.87 0.22 Allowed 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.137 0.494 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.99 -10.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -42.27 -29.36 0.25 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.145 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -45.08 72.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.014 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -61.58 -30.05 70.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.849 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.91 -36.5 84.16 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.316 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -34.19 77.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.326 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -68.82 -35.68 77.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.972 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.1 -20.53 63.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.511 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -75.99 -32.93 59.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.026 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 t -67.41 -31.2 71.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.108 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -33.45 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.257 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mt -66.77 -33.55 64.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.296 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -73.92 -16.38 61.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.585 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -83.26 -29.91 28.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.292 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.6 -28.66 33.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.35 84.47 3.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.569 ' HA ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.682 0.277 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -100.22 -3.74 30.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.482 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -170.19 38.44 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.417 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.569 HG23 ' HA ' ' A' ' 1' ' ' ALA . 57.3 t -66.34 -12.52 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 176.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -45.92 -27.51 0.91 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.517 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -66.42 -39.71 89.1 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.104 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -38.38 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.044 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.03 -40.38 95.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.151 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.23 -30.15 70.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.078 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -40.23 75.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.033 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -20.97 63.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.67 -33.07 53.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.815 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -31.32 71.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.015 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.92 -33.62 76.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.229 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -65.15 -34.42 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.439 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -72.72 -16.49 61.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.662 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -82.97 -30.1 28.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.316 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.11 -28.65 32.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.823 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -68.03 0.62 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -45.43 -27.56 0.73 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.105 -1.407 . . . . 0.0 111.749 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -39.7 83.16 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.1 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -35.3 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.049 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.18 -41.04 99.14 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.205 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -67.98 -30.58 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.991 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.12 -33.99 72.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.91 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.05 -22.14 63.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.638 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -35.78 60.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.985 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.5 m -66.93 -30.05 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.034 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -66.82 -32.87 74.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.262 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.76 -39.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -16.84 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.631 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.01 -30.83 23.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.266 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.06 -27.47 26.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.812 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.629 ' HA ' HD12 ' A' ' 8' ' ' LEU . 53.7 t80 -45.07 -27.87 0.63 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.82 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -68.19 -40.51 82.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.111 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -33.01 73.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.949 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 5' ' ' PHE . 1.3 mt -62.61 -40.96 98.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.227 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.66 -31.79 71.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.959 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -31.67 69.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.838 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp -70.05 -22.2 63.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.447 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -73.77 -39.27 64.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.061 179.288 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.88 -30.46 71.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.926 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -31.28 72.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' A' ' 12' ' ' PHE . 53.8 mt -65.62 -39.77 86.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.8 -16.83 61.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.13 -31.71 23.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.148 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.05 -27.24 26.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.849 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -43.6 -28.39 0.38 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.764 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -67.27 -44.72 78.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.096 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -31.68 71.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.898 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -35.99 82.45 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.18 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -65.26 -32.68 74.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.274 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -42.06 80.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.925 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -20.27 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.35 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.2 -31.19 62.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.853 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.3 t -65.22 -34.54 78.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.267 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -37.75 87.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -66.35 -31.39 53.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.211 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -72.44 -19.83 61.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.465 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -78.04 -30.28 49.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.334 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.54 -29.76 56.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.739 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' A' ' 8' ' ' LEU . 15.7 t80 -43.59 -28.42 0.38 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.952 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -44.23 75.9 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.136 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -62.85 -31.82 72.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.947 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 5' ' ' PHE . 16.4 mt -65.54 -34.89 79.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.249 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -66.95 -32.01 72.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.334 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -70.01 -40.31 75.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.037 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -69.99 -20.6 63.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.406 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -31.32 57.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.896 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.8 m -68.21 -31.61 71.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.192 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -38.8 80.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.338 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.7 mt -67.47 -30.86 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.121 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -75.61 -17.36 60.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.504 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -83.18 -29.23 28.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.357 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.74 -28.77 26.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -41.99 -29.59 0.23 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.943 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -48.96 64.66 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.068 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -63.16 -31.27 72.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.76 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -33.76 76.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.099 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.39 -32.48 73.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.343 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -70.04 -42.4 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.922 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.4 mt -69.25 -19.58 63.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.347 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.53 -31.85 57.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.779 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -31.73 72.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.073 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -65.48 -33.86 76.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.266 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.07 -32.2 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.338 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -73.05 -17.13 61.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.667 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -82.14 -29.79 31.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.366 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.29 -28.49 31.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.909 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.621 ' HA ' HD12 ' A' ' 8' ' ' LEU . 52.6 t80 -46.15 -26.48 0.77 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.81 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -69.13 -40.96 77.95 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.057 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -62.09 -32.63 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.819 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 5' ' ' PHE . 14.6 mt -62.27 -31.44 72.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.171 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -39.66 94.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.516 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -67.67 -39.33 84.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 109.881 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.93 -18.48 63.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.057 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -34.27 63.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.918 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 t -64.9 -34.55 78.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.163 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -65.04 -30.41 71.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.173 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mt -65.58 -34.98 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.355 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -71.99 -16.51 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.746 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -83.47 -33.45 25.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.291 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -85.08 -29.18 25.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.785 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 tptt . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.854 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -44.52 -28.25 0.56 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.064 -1.426 . . . . 0.0 111.721 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -67.27 -42.56 83.65 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.171 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -62.47 -34.09 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.015 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.93 -38.68 91.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.258 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.72 -29.7 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.144 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -70.01 -40.34 75.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.149 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.411 ' HA ' HD13 ' A' ' 11' ' ' LEU . 3.3 mm? -69.99 -22.45 63.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.708 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.43 -32.83 48.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.855 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 t -68.96 -29.71 68.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.028 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -36.67 80.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.396 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mt -67.11 -34.83 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.282 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -13.81 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.383 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -84.61 -34.46 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.45 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -85.1 -23.03 28.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 tttt . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -44.08 -28.49 0.49 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.786 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -42.52 84.59 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.165 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -62.54 -34.25 76.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.04 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.78 -39.15 93.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.225 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.69 -29.83 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.088 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -37.68 75.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.065 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 tp -69.99 -22.2 63.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.74 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -78.07 -34.14 50.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.855 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -67.98 -30.57 69.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.88 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -32.25 73.59 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.171 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.27 -37.03 79.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -15.43 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.661 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -84.82 -29.78 25.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.317 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.82 -27.69 28.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.787 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -46.6 -27.09 1.04 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.394 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -38.15 87.13 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.11 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -61.21 -38.07 85.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.131 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.98 -43.79 97.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.168 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -28.4 69.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.9 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -68.77 -40.61 79.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.143 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.6 -23.25 64.44 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.664 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -76.15 -31.37 58.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.669 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.9 m -65.2 -31.78 73.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.913 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -42.42 97.52 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.394 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.15 -32.51 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -74.59 -18.06 60.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.495 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -81.61 -30.46 32.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.331 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -81.45 -28.54 34.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -43.47 -28.62 0.37 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.898 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -67.45 -44.13 79.43 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.072 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -60.63 -30.87 70.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.906 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -37.23 86.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.173 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -33.54 76.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.184 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -38.62 85.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.903 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.24 -20.66 65.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.329 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -73.32 -32.0 64.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.015 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.4 t -65.76 -34.78 78.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.213 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -33.77 76.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.144 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.64 -31.44 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.257 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -72.1 -18.39 61.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.683 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -30.59 34.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.582 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -84.93 -29.86 24.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.807 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -45.19 -26.78 0.52 Allowed 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.836 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -41.87 78.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.925 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -33.34 72.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.792 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.89 -43.41 98.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.154 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.55 -33.73 73.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.567 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -69.84 -35.47 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.99 -19.45 63.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.241 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -73.53 -35.79 65.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.071 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -33.91 77.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.09 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -64.38 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.085 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mt -63.74 -33.04 59.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.268 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -71.65 -16.37 62.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.802 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -83.08 -31.55 27.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.512 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.06 -27.86 26.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.2 tttt . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 8' ' ' LEU . 18.1 t80 -46.68 -26.59 0.95 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.077 -1.42 . . . . 0.0 111.658 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -38.03 81.01 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.068 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -61.81 -33.05 73.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.944 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 5' ' ' PHE . 1.6 mt -62.04 -41.23 97.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.251 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.9 -31.78 72.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.019 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -68.38 -34.25 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.795 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -21.01 65.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.347 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -33.84 67.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.973 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -63.44 -33.2 75.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.977 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -62.09 -31.81 72.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.091 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.2 mm -61.81 -35.36 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -68.17 -18.24 64.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.64 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -30.66 48.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.382 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.81 -30.04 58.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.767 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.594 HG13 HH11 ' A' ' 7' ' ' ARG . 39.9 t . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -45.58 -28.21 0.91 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.689 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -40.13 84.31 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.128 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.594 HH11 HG13 ' A' ' 4' ' ' VAL . 1.1 mpt_? -62.12 -31.6 72.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.954 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -41.66 98.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.341 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -67.69 -31.31 71.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.044 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -70.01 -31.41 69.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.831 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -22.88 62.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.561 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.85 -35.62 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.163 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -31.22 71.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.066 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -33.27 75.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.155 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.5 mt -65.17 -34.93 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.375 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -72.72 -16.28 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -83.12 -29.92 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.246 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -28.7 36.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.85 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -43.59 -28.95 0.43 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.098 -1.41 . . . . 0.0 111.886 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -67.91 -43.24 79.69 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.071 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -31.47 71.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.926 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -63.94 -38.31 90.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.352 179.457 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -32.85 74.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.24 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -36.87 75.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.954 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.07 -21.46 63.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.37 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -75.06 -31.3 61.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.943 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.0 t -67.28 -33.69 75.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.194 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -38.15 86.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.183 179.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.2 mt -64.95 -31.64 54.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.041 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -72.31 -16.97 61.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.539 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -80.54 -36.9 32.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.52 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -85.14 -25.38 27.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.009 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.933 0.397 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -44.96 -27.96 0.61 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.016 -1.447 . . . . 0.0 111.594 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -66.45 -42.03 88.21 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.152 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -61.45 -35.85 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.967 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.57 -38.36 89.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.15 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -30.52 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.069 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -43.93 73.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.068 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -20.91 64.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.312 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -29.36 56.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.681 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -66.39 -34.72 78.6 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.105 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -65.15 -41.0 95.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.205 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.5 mt -64.2 -29.29 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.122 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -19.57 61.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.63 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -79.34 -31.27 43.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.531 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.93 -30.5 28.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -44.32 -28.03 0.49 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.731 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -42.15 86.59 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.07 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -32.47 71.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.914 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.49 -33.34 74.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.071 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.28 -35.87 80.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.223 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.22 -47.59 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.992 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -18.73 65.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.263 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.63 -31.46 52.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.752 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -66.74 -32.47 73.8 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.121 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -33.87 76.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.307 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.76 -32.44 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.359 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.99 -17.66 60.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.669 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -82.86 -32.28 27.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.324 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -85.09 -29.06 25.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.811 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -43.96 -28.31 0.45 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.783 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -66.94 -43.48 83.09 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.171 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -62.77 -35.15 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.043 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.693 ' HA ' HD12 ' A' ' 11' ' ' LEU . 5.5 tp -65.23 -37.76 88.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.16 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.04 -30.47 69.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.047 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -38.79 76.12 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.011 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 8' ' ' LEU . 4.8 mt -70.08 -21.42 63.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.635 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -78.18 -33.77 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.886 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 t -68.08 -30.29 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.923 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -66.95 -32.5 73.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.165 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.613 HG22 ' HD2' ' A' ' 19' ' ' LYS . 36.1 mt -65.81 -34.84 73.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.481 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -73.37 -16.16 61.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.748 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.56 -32.04 24.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.247 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.1 -27.98 25.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.745 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.613 ' HD2' HG22 ' A' ' 15' ' ' ILE . 4.2 mttt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.817 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -43.91 -28.37 0.45 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.822 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -67.4 -43.27 81.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.12 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -61.6 -31.62 71.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.958 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.01 -34.66 78.51 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.267 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -34.52 78.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.329 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -67.39 -42.16 83.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.006 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -19.79 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.384 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.61 -32.2 57.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.892 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -66.81 -32.21 73.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.14 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -65.76 -35.28 80.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.3 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.5 mt -65.19 -32.74 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.293 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -73.25 -16.96 61.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.44 -29.85 30.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.434 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.61 -29.36 27.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.81 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.918 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -42.27 -29.36 0.25 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.145 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -45.08 72.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.014 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -61.58 -30.05 70.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.849 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.91 -36.5 84.16 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.316 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -34.19 77.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.326 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -68.82 -35.68 77.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.972 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.1 -20.53 63.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.511 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -75.99 -32.93 59.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.026 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 t -67.41 -31.2 71.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.108 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -33.45 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.257 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mt -66.77 -33.55 64.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.296 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -73.92 -16.38 61.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.585 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -83.26 -29.91 28.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.292 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.6 -28.66 33.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -45.92 -27.51 0.91 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.517 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -66.42 -39.71 89.1 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.104 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -38.38 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.044 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.03 -40.38 95.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.151 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.23 -30.15 70.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.078 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -40.23 75.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.033 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -20.97 63.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.67 -33.07 53.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.815 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -31.32 71.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.015 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.92 -33.62 76.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.229 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -65.15 -34.42 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.439 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -72.72 -16.49 61.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.662 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -82.97 -30.1 28.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.316 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.11 -28.65 32.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.823 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.925 0.393 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.17 1.17 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.352 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.17 37.28 2.55 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.085 0.469 . . . . 0.0 111.535 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.9 -12.12 14.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -45.43 -27.56 0.73 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.105 -1.407 . . . . 0.0 111.749 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -39.7 83.16 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.1 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -35.3 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.049 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.18 -41.04 99.14 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.205 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -67.98 -30.58 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.991 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.12 -33.99 72.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.91 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.05 -22.14 63.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.638 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -35.78 60.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.985 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.5 m -66.93 -30.05 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.034 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -66.82 -32.87 74.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.262 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.76 -39.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -16.84 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.631 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.01 -30.83 23.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.266 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.06 -27.47 26.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.812 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -35.39 75.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -98.94 -4.14 33.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.374 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -104.96 38.22 1.98 Allowed 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.56 -13.14 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.629 ' HA ' HD12 ' A' ' 8' ' ' LEU . 53.7 t80 -45.07 -27.87 0.63 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.82 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -68.19 -40.51 82.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.111 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -33.01 73.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.949 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 5' ' ' PHE . 1.3 mt -62.61 -40.96 98.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.227 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.66 -31.79 71.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.959 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -31.67 69.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.838 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp -70.05 -22.2 63.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.447 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -73.77 -39.27 64.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.061 179.288 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.88 -30.46 71.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.926 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -31.28 72.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' A' ' 12' ' ' PHE . 53.8 mt -65.62 -39.77 86.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.8 -16.83 61.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.13 -31.71 23.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.148 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.05 -27.24 26.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.849 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.06 143.68 49.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.775 0.321 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -77.77 -4.82 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.449 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.8 36.83 4.29 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.062 0.458 . . . . 0.0 111.069 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.84 -12.38 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -43.6 -28.39 0.38 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.764 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -67.27 -44.72 78.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.096 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -31.68 71.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.898 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -35.99 82.45 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.18 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -65.26 -32.68 74.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.274 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -42.06 80.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.925 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -20.27 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.35 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.2 -31.19 62.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.853 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.3 t -65.22 -34.54 78.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.267 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -37.75 87.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -66.35 -31.39 53.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.211 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -72.44 -19.83 61.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.465 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -78.04 -30.28 49.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.334 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.54 -29.76 56.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.739 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 103.2 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.659 ' HB1' ' CG2' ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.919 0.39 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.09 27.68 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -175.58 37.43 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.062 0.458 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.659 ' CG2' ' HB1' ' A' ' 1' ' ' ALA . 44.6 t -67.61 -12.09 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' A' ' 8' ' ' LEU . 15.7 t80 -43.59 -28.42 0.38 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.952 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -44.23 75.9 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.136 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -62.85 -31.82 72.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.947 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 5' ' ' PHE . 16.4 mt -65.54 -34.89 79.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.249 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -66.95 -32.01 72.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.334 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -70.01 -40.31 75.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.037 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -69.99 -20.6 63.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.406 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -31.32 57.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.896 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.8 m -68.21 -31.61 71.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.192 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -38.8 80.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.338 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.7 mt -67.47 -30.86 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.121 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -75.61 -17.36 60.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.504 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -83.18 -29.23 28.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.357 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.74 -28.77 26.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.0 122.85 21.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.809 0.338 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.86 26.24 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 pttm 45.13 35.84 1.84 Allowed 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 121.112 0.482 . . . . 0.0 111.51 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.46 -12.76 15.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -41.99 -29.59 0.23 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.943 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -48.96 64.66 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.068 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -63.16 -31.27 72.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.76 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -33.76 76.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.099 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.39 -32.48 73.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.343 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -70.04 -42.4 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.922 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.4 mt -69.25 -19.58 63.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.347 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.53 -31.85 57.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.779 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -31.73 72.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.073 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -65.48 -33.86 76.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.266 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.07 -32.2 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.338 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -73.05 -17.13 61.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.667 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -82.14 -29.79 31.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.366 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.29 -28.49 31.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -59.87 173.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.344 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.99 25.98 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? 44.99 37.65 2.55 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.996 0.427 . . . . 0.0 111.605 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.11 -13.13 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.621 ' HA ' HD12 ' A' ' 8' ' ' LEU . 52.6 t80 -46.15 -26.48 0.77 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.81 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -69.13 -40.96 77.95 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.057 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -62.09 -32.63 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.819 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 5' ' ' PHE . 14.6 mt -62.27 -31.44 72.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.171 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -39.66 94.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.516 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -67.67 -39.33 84.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 109.881 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.93 -18.48 63.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.057 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -34.27 63.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.918 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 t -64.9 -34.55 78.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.163 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -65.04 -30.41 71.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.173 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mt -65.58 -34.98 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.355 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -71.99 -16.51 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.746 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -83.47 -33.45 25.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.291 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -85.08 -29.18 25.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.785 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -66.78 81.57 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.786 0.327 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.98 32.08 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.0 37.12 1.69 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.043 0.449 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.79 -12.7 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -44.52 -28.25 0.56 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.064 -1.426 . . . . 0.0 111.721 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -67.27 -42.56 83.65 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.171 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -62.47 -34.09 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.015 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.93 -38.68 91.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.258 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.72 -29.7 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.144 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -70.01 -40.34 75.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.149 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' HA ' HD13 ' A' ' 11' ' ' LEU . 3.3 mm? -69.99 -22.45 63.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.708 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.43 -32.83 48.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.855 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 t -68.96 -29.71 68.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.028 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -36.67 80.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.396 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mt -67.11 -34.83 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.282 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -13.81 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.383 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -84.61 -34.46 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.45 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -85.1 -23.03 28.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -78.84 -34.49 45.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 -3.77 44.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.449 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.75 37.7 2.08 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.078 0.466 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.09 -12.75 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -44.08 -28.49 0.49 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.786 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -42.52 84.59 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.165 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -62.54 -34.25 76.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.04 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.78 -39.15 93.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.225 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.69 -29.83 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.088 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -37.68 75.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.065 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 tp -69.99 -22.2 63.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.74 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -78.07 -34.14 50.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.855 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -67.98 -30.57 69.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.88 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -32.25 73.59 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.171 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.27 -37.03 79.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -15.43 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.661 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -84.82 -29.78 25.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.317 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.82 -27.69 28.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.787 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.15 157.15 23.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.876 0.369 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.36 38.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -143.9 39.06 1.34 Allowed 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.78 -14.1 15.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -46.6 -27.09 1.04 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.394 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -38.15 87.13 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.11 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -61.21 -38.07 85.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.131 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.98 -43.79 97.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.168 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -28.4 69.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.9 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -68.77 -40.61 79.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.143 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.6 -23.25 64.44 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.664 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -76.15 -31.37 58.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.669 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.9 m -65.2 -31.78 73.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.913 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -42.42 97.52 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.394 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.15 -32.51 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -74.59 -18.06 60.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.495 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -81.61 -30.46 32.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.331 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -81.45 -28.54 34.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -178.08 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.381 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.806 0.336 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.8 10.21 27.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -131.14 36.99 3.79 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.075 0.464 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.03 -11.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -43.47 -28.62 0.37 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.898 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -67.45 -44.13 79.43 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.072 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -60.63 -30.87 70.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.906 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -37.23 86.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.173 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -33.54 76.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.184 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -38.62 85.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.903 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.24 -20.66 65.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.329 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -73.32 -32.0 64.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.015 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.4 t -65.76 -34.78 78.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.213 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -33.77 76.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.144 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.64 -31.44 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.257 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -72.1 -18.39 61.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.683 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -30.59 34.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.582 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -84.93 -29.86 24.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.807 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -59.23 2.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.853 0.359 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -99.95 31.54 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 38.96 37.13 0.19 Allowed 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.867 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.23 -11.8 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -45.19 -26.78 0.52 Allowed 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.836 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -41.87 78.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.925 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -33.34 72.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.792 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.89 -43.41 98.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.154 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.55 -33.73 73.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.567 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -69.84 -35.47 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.99 -19.45 63.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.241 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -73.53 -35.79 65.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.071 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -33.91 77.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.09 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -64.38 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.085 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mt -63.74 -33.04 59.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.268 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -71.65 -16.37 62.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.802 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -83.08 -31.55 27.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.512 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.06 -27.86 26.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -58.38 -32.31 68.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.335 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.806 0.336 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.41 19.14 11.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.04 38.14 3.7 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.59 -13.16 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 8' ' ' LEU . 18.1 t80 -46.68 -26.59 0.95 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.077 -1.42 . . . . 0.0 111.658 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -38.03 81.01 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.068 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -61.81 -33.05 73.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.944 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 5' ' ' PHE . 1.6 mt -62.04 -41.23 97.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.251 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.9 -31.78 72.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.019 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -68.38 -34.25 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.795 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -21.01 65.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.347 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -33.84 67.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.973 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -63.44 -33.2 75.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.977 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -62.09 -31.81 72.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.091 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.2 mm -61.81 -35.36 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -68.17 -18.24 64.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.64 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -30.66 48.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.382 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.81 -30.04 58.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.767 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.44 79.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.65 30.49 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -128.93 38.14 3.98 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.594 HG13 HH11 ' A' ' 7' ' ' ARG . 39.9 t -65.73 -13.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -45.58 -28.21 0.91 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.689 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -40.13 84.31 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.128 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.594 HH11 HG13 ' A' ' 4' ' ' VAL . 1.1 mpt_? -62.12 -31.6 72.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.954 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -41.66 98.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.341 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -67.69 -31.31 71.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.044 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -70.01 -31.41 69.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.831 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -22.88 62.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.561 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.85 -35.62 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.163 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -31.22 71.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.066 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -33.27 75.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.155 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.5 mt -65.17 -34.93 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.375 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -72.72 -16.28 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -83.12 -29.92 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.246 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -28.7 36.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -66.97 -63.25 1.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.769 0.319 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -98.39 28.91 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.966 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.41 37.89 3.95 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.093 0.473 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.71 -12.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 176.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -43.59 -28.95 0.43 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.098 -1.41 . . . . 0.0 111.886 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -67.91 -43.24 79.69 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.071 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -31.47 71.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.926 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -63.94 -38.31 90.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.352 179.457 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -32.85 74.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.24 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -36.87 75.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.954 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.07 -21.46 63.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.37 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -75.06 -31.3 61.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.943 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.0 t -67.28 -33.69 75.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.194 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -38.15 86.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.183 179.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.2 mt -64.95 -31.64 54.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.041 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -72.31 -16.97 61.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.539 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -80.54 -36.9 32.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.52 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -85.14 -25.38 27.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.009 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.91 87.04 5.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.933 0.397 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 32.23 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -129.02 38.49 3.92 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.04 -13.96 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -44.96 -27.96 0.61 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.016 -1.447 . . . . 0.0 111.594 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -66.45 -42.03 88.21 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.152 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -61.45 -35.85 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.967 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.57 -38.36 89.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.15 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -30.52 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.069 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -43.93 73.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.068 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -20.91 64.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.312 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -29.36 56.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.681 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -66.39 -34.72 78.6 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.105 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -65.15 -41.0 95.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.205 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.5 mt -64.2 -29.29 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.122 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -19.57 61.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.63 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -79.34 -31.27 43.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.531 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.93 -30.5 28.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.55 101.96 5.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.359 -0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.772 0.32 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 53.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.8 38.93 1.15 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.293 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.88 -11.97 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -44.32 -28.03 0.49 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.731 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -42.15 86.59 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.07 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -32.47 71.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.914 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.49 -33.34 74.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.071 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.28 -35.87 80.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.223 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.22 -47.59 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.992 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -18.73 65.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.263 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.63 -31.46 52.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.752 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -66.74 -32.47 73.8 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.121 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -33.87 76.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.307 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.76 -32.44 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.359 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.99 -17.66 60.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.669 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -82.86 -32.28 27.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.324 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -85.09 -29.06 25.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.811 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -72.32 -37.2 68.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.349 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.901 0.382 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -100.08 31.28 3.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -102.11 38.12 1.73 Allowed 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 111.196 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.31 -12.86 15.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -43.96 -28.31 0.45 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.783 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -66.94 -43.48 83.09 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.171 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -62.77 -35.15 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.043 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.693 ' HA ' HD12 ' A' ' 11' ' ' LEU . 5.5 tp -65.23 -37.76 88.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.16 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.04 -30.47 69.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.047 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -38.79 76.12 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.011 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 8' ' ' LEU . 4.8 mt -70.08 -21.42 63.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.635 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -78.18 -33.77 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.886 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 t -68.08 -30.29 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.923 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -66.95 -32.5 73.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.165 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.613 HG22 ' HD2' ' A' ' 19' ' ' LYS . 36.1 mt -65.81 -34.84 73.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.481 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -73.37 -16.16 61.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.748 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.56 -32.04 24.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.247 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.1 -27.98 25.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.745 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.613 ' HD2' HG22 ' A' ' 15' ' ' ILE . 4.2 mttt -68.58 120.85 15.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.817 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.504 ' HA ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.858 0.361 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -91.0 -9.29 46.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.387 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -176.39 37.95 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.042 0.448 . . . . 0.0 111.035 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.504 HG23 ' HA ' ' A' ' 1' ' ' ALA . 43.9 t -66.17 -12.69 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -43.91 -28.37 0.45 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.822 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -67.4 -43.27 81.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.12 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -61.6 -31.62 71.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.958 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.01 -34.66 78.51 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.267 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -34.52 78.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.329 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -67.39 -42.16 83.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.006 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -19.79 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.384 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.61 -32.2 57.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.892 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -66.81 -32.21 73.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.14 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -65.76 -35.28 80.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.3 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.5 mt -65.19 -32.74 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.293 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -73.25 -16.96 61.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.44 -29.85 30.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.434 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.61 -29.36 27.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.81 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -85.02 58.17 4.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.808 0.337 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -98.21 23.69 8.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -158.88 35.87 0.22 Allowed 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.137 0.494 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.99 -10.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -42.27 -29.36 0.25 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.145 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -45.08 72.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.014 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -61.58 -30.05 70.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.849 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.91 -36.5 84.16 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.316 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -34.19 77.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.326 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -68.82 -35.68 77.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.972 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.1 -20.53 63.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.511 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -75.99 -32.93 59.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.026 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 t -67.41 -31.2 71.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.108 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -33.45 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.257 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mt -66.77 -33.55 64.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.296 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -73.92 -16.38 61.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.585 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -83.26 -29.91 28.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.292 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.6 -28.66 33.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.35 84.47 3.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.569 ' HA ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.682 0.277 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -100.22 -3.74 30.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.482 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -170.19 38.44 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.417 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.569 HG23 ' HA ' ' A' ' 1' ' ' ALA . 57.3 t -66.34 -12.52 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 176.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -45.92 -27.51 0.91 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.517 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -66.42 -39.71 89.1 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.104 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -38.38 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.044 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.03 -40.38 95.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.151 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.23 -30.15 70.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.078 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -40.23 75.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.033 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -20.97 63.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.67 -33.07 53.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.815 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -31.32 71.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.015 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.92 -33.62 76.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.229 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -65.15 -34.42 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.439 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -72.72 -16.49 61.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.662 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -82.97 -30.1 28.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.316 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.11 -28.65 32.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.823 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -68.03 0.62 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_