data_2mwt_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 2mwt _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.815 0.341 . . . . 75.32 110.821 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -68.84 -25.1 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 75.15 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -38.25 55.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.895 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -68.47 -31.99 71.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.894 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -69.05 -39.13 79.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.11 110.858 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -52.01 -54.76 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.3 110.864 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -56.28 -26.92 53.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 70.34 110.901 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.01 -37.69 38.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.933 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.9 t -64.28 -28.18 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 71.32 111.141 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -59.72 -31.18 69.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.926 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -49.12 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 74.42 110.86 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -63.85 -55.04 25.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 73.22 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.2 t -58.23 -32.25 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 74.14 111.15 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -51.49 -32.87 29.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.836 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -77.71 -34.44 52.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 75.52 110.915 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -40.24 96.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.893 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.23 -26.16 62.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 74.44 110.906 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -52.33 -32.95 40.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.24 110.886 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.7 -31.62 52.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.89 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.2 mt -74.06 -26.35 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.41 111.129 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.835 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.842 0.353 . . . . 73.21 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -63.95 -25.25 68.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -37.68 52.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 75.55 110.966 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -68.71 -32.37 72.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.91 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -68.51 -39.82 81.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 60.02 110.877 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -51.63 -54.98 22.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -55.1 -26.86 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.932 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -36.04 35.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.913 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 t -66.08 -32.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 73.34 111.139 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -64.21 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 75.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -51.45 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 64.31 110.919 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -67.32 -55.0 15.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.3 110.848 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -54.04 -33.26 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.01 111.136 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -51.29 -45.33 62.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.889 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -59.88 -30.76 69.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 73.54 110.927 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -70.53 -57.69 4.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 75.5 110.875 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mt -62.07 -26.24 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.938 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -52.06 -29.92 23.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.918 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -80.11 -33.76 38.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 73.0 110.955 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.6 mt -72.6 -26.59 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 73.34 111.179 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 72.54 110.891 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 73.13 110.84 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -70.75 -25.32 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.87 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -36.79 51.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.825 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -71.25 -31.88 68.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 73.43 110.844 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -67.08 -41.61 86.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 72.31 110.893 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -51.76 -46.44 64.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 73.44 110.916 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -64.16 -26.82 68.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.55 110.857 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -35.05 44.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.877 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.9 t -66.85 -31.58 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 73.13 111.097 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -31.34 72.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 73.15 110.93 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -50.8 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.972 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -66.99 -54.96 16.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 64.35 110.777 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -54.88 -32.92 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 70.14 111.108 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -51.41 -39.85 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.927 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -70.17 -32.52 70.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.925 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -61.73 -56.44 19.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 64.31 110.858 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.7 -26.0 68.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.975 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -51.95 -31.3 28.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.922 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -32.56 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.4 110.911 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.8 mt -74.37 -25.29 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 73.3 111.114 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.896 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.819 0.342 . . . . 72.5 110.868 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -62.34 -25.1 67.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 70.13 110.921 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.91 -38.71 57.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 74.12 110.841 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -67.45 -31.93 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 75.4 110.945 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -69.9 -38.39 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.87 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -51.95 -54.9 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.892 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -26.83 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.862 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -35.08 36.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.915 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 t -67.22 -28.21 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 63.44 111.111 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.49 -31.26 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.921 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -78.02 -49.11 14.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 64.11 110.86 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -63.89 -54.99 26.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 73.35 110.854 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -58.36 -32.15 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 70.14 111.111 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -34.45 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.52 110.903 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -65.09 -38.75 91.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.911 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -62.54 -52.96 61.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 75.33 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mt -64.82 -26.03 68.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.968 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -52.05 -30.0 23.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.22 110.859 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -81.66 -32.93 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.897 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.4 mt -74.04 -25.6 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.44 111.164 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.781 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 74.12 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -68.69 -24.59 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.01 110.862 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -39.18 58.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 75.22 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -66.91 -31.87 72.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.914 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -70.76 -36.58 73.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -51.73 -42.05 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.41 110.845 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -72.23 -26.81 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 70.03 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -31.31 55.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.31 110.9 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 t -66.36 -31.86 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.135 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -64.12 -31.28 72.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -73.66 -51.68 15.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.906 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -67.0 -54.84 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.921 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.6 t -54.17 -33.46 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 75.44 111.12 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -51.41 -40.28 58.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 75.23 110.875 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -71.2 -30.84 66.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.35 110.849 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -65.51 -58.04 6.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 73.05 110.874 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.55 -26.44 54.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.841 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -29.79 25.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.848 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -80.2 -33.47 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.869 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.4 mt -72.7 -25.65 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 75.23 111.17 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.892 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.847 0.356 . . . . 73.04 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -58.88 -24.91 62.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.91 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -38.89 58.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 74.4 110.908 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.874 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -70.06 -37.92 75.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.418 . . . . 73.1 110.904 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.05 -53.88 36.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 73.52 110.899 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -56.8 -26.93 59.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.84 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -36.32 38.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 73.51 110.921 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.1 t -65.15 -28.2 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.12 111.086 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -31.3 69.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.937 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -78.0 -49.07 14.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.911 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 t -63.84 -55.06 25.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 54.24 110.821 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.28 -32.32 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.42 111.108 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -51.35 -38.86 55.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.965 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -70.81 -33.59 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.829 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.69 -58.38 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.8 -26.08 67.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 75.14 110.881 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -52.54 -30.4 30.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.884 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -80.14 -31.93 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 75.01 110.874 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.0 mt -74.51 -25.26 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 73.13 111.141 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.9 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 74.33 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -65.48 -25.22 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.94 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -51.97 -37.61 53.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.919 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -69.43 -32.13 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.879 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -68.03 -40.53 82.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.824 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -52.04 -53.51 41.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 74.3 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -57.13 -26.9 61.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -37.58 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 75.52 110.889 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.95 -28.28 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 74.21 111.133 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -59.6 -31.26 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.863 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -49.05 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.986 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -63.82 -55.06 25.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 61.14 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.0 t -58.28 -32.15 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 74.44 111.181 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -51.53 -48.49 62.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.934 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -63.96 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.933 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -61.68 -58.39 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.881 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.1 -25.73 65.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.891 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -51.95 -33.31 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 74.54 110.83 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -77.32 -32.33 55.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.873 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.5 mt -73.53 -25.16 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 72.44 111.161 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 62.13 110.811 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.847 0.356 . . . . 73.02 110.873 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -63.0 -25.2 68.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.12 110.939 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.88 -38.21 55.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.43 110.903 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -67.88 -32.2 72.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.875 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -69.11 -39.31 79.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.872 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.09 -50.71 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 73.22 110.855 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -60.73 -26.89 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 72.43 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -28.72 36.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 71.34 110.92 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.3 t -72.56 -32.0 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.43 111.133 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -51.64 -31.12 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.856 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -69.91 -50.41 42.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 75.11 110.876 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -68.77 -55.05 12.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.831 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -54.2 -32.13 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 73.31 111.147 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -39.67 57.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.947 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -66.67 -33.71 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.89 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -63.21 -41.28 99.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.796 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.37 -26.13 64.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 74.45 110.845 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -52.23 -30.06 25.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 73.41 110.927 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -79.27 -33.88 43.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.873 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.8 mt -72.3 -28.54 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.33 111.158 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 75.12 110.866 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 70.54 110.82 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -62.79 -25.02 68.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.85 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -51.82 -38.45 55.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 75.22 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -67.82 -32.12 72.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.911 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -69.48 -38.52 77.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 74.54 110.934 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -51.64 -54.76 24.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.41 110.859 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -56.34 -26.88 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.882 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.22 -35.81 41.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.887 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 t -66.19 -32.38 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 71.5 111.121 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -31.43 72.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.924 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.48 -51.46 17.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 65.32 110.83 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.5 m -67.27 -54.89 16.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.858 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.16 -33.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.31 111.125 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -51.37 -43.96 61.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 73.12 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -67.75 -28.67 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 75.22 110.873 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -48.72 79.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.852 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mt -60.98 -26.02 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.03 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -52.12 -30.04 24.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 75.54 110.861 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -78.98 -34.43 44.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 72.52 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.8 mt -72.13 -26.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.32 111.144 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.12 110.862 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.851 0.358 . . . . 75.45 110.918 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -63.21 -25.28 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.815 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -37.64 53.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 62.24 110.836 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -32.23 71.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 75.54 110.816 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -68.49 -40.03 81.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 71.24 110.905 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -51.66 -51.31 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.905 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -59.56 -26.89 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.841 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -35.62 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.22 110.885 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.9 t -67.03 -30.55 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 64.33 111.095 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -64.18 -31.34 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.929 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -74.89 -50.34 17.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.893 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.9 m -66.83 -54.96 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.51 110.834 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.8 t -55.42 -32.47 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.493 . . . . 74.53 111.086 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -51.41 -43.16 61.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 75.04 110.821 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -62.04 -34.44 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 64.4 110.892 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -65.98 -58.21 6.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 73.55 110.937 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -60.05 -26.04 65.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.979 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -52.31 -29.92 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 71.44 110.887 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -82.37 -31.89 29.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.859 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.03 -25.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 73.43 111.114 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 75.44 110.885 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.832 0.349 . . . . 73.33 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -70.08 -25.12 63.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.867 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -37.94 54.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.941 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -31.35 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.945 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -68.14 -40.18 82.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.41 110.864 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -52.03 -49.81 62.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.901 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -26.87 67.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 74.51 110.936 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -36.82 39.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.859 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.5 t -63.65 -28.19 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 73.45 111.104 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -31.34 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.901 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.99 -49.14 14.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 71.11 110.851 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -54.99 26.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 72.44 110.895 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.7 t -58.39 -32.25 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 74.21 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.42 59.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.909 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -60.37 -35.9 76.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 73.55 110.841 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -65.34 -51.69 58.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.17 -25.91 68.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -51.98 -30.06 23.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.856 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 -32.76 30.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.867 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.9 mt -75.25 -25.43 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.135 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 72.31 110.92 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.85 0.357 . . . . 75.13 110.825 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -64.75 -25.26 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.911 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -37.35 51.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 72.11 110.886 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -70.01 -32.25 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.964 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -67.56 -40.86 84.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -51.58 -46.54 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.34 110.916 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -64.17 -26.78 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 74.04 110.968 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.4 -34.3 41.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.876 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.6 t -66.11 -32.8 59.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 75.31 111.152 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -64.02 -31.33 72.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 70.32 110.913 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -73.53 -51.54 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.93 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 m -67.2 -54.88 17.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.864 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.22 -33.19 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 71.3 111.166 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -51.32 -40.54 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 75.32 110.891 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -65.86 -33.14 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.871 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -66.26 -55.84 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.888 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.9 -25.95 63.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.35 110.924 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -52.13 -34.9 46.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 73.32 110.838 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -31.43 58.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.966 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.15 -26.03 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.137 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.844 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.844 0.354 . . . . 75.43 110.903 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -68.48 -25.24 64.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.881 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -51.94 -37.77 53.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 75.04 110.866 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -69.17 -32.19 71.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.872 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -68.16 -40.27 82.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.861 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -51.92 -54.87 24.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 70.41 110.908 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -26.91 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 72.24 110.887 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -37.9 36.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.88 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.28 -28.23 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 74.25 111.107 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -59.59 -31.3 69.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.903 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.05 -49.12 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 74.24 110.902 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -55.0 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 75.42 110.851 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.6 t -58.22 -32.28 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 74.23 111.142 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -36.4 43.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -71.81 -34.19 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.837 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -65.81 -51.8 56.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.913 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -56.35 -26.17 51.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.955 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -30.08 25.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 75.02 110.881 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -79.47 -33.47 42.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.941 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.7 mt -73.28 -25.37 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.54 111.206 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.944 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.82 0.343 . . . . 73.24 110.835 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -61.68 -25.42 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.81 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -51.98 -36.52 49.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 73.34 110.938 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -72.0 -31.89 66.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.903 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -66.48 -42.3 87.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 74.4 110.875 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -51.61 -53.35 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.879 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -56.92 -26.85 60.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.922 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -36.77 37.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 72.41 110.919 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.0 t -65.98 -32.08 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 73.12 111.174 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -64.18 -31.33 72.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 75.41 110.898 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -73.27 -51.27 18.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.836 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -67.61 -54.91 15.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 52.53 110.889 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.7 t -54.18 -32.94 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 74.41 111.135 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -51.38 -37.12 46.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 74.51 110.891 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -58.56 -42.01 86.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 75.23 110.86 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -61.19 -55.56 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.838 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.82 -25.91 68.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 72.13 110.889 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -52.91 -30.49 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.887 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.75 -31.36 40.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 74.33 110.926 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.9 mt -75.08 -25.2 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 75.32 111.184 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.41 110.902 179.923 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.339 . . . . 74.21 110.844 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -67.84 -25.0 65.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.791 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -51.89 -38.63 56.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 72.52 110.92 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -67.92 -31.86 71.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.297 -0.41 . . . . 73.15 110.893 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -69.79 -38.05 76.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 73.25 110.875 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -51.84 -49.07 63.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 64.01 110.939 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -26.85 68.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 75.35 110.905 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.41 -35.15 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 74.32 110.867 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 t -65.26 -28.27 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.33 111.152 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -61.67 -31.33 71.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.846 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -49.2 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 73.12 110.855 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -55.01 21.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 74.22 110.902 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.2 t -57.36 -32.25 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 73.5 111.157 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -42.04 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -65.81 -34.41 78.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 71.33 110.9 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -65.99 -54.95 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -56.14 -26.18 49.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 75.33 110.873 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -52.1 -31.76 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.891 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -32.98 52.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 75.1 110.887 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.35 -27.11 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.4 111.146 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 71.43 110.908 179.899 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.805 0.336 . . . . 74.44 110.836 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -72.67 -25.18 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.829 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -38.08 54.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.907 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -69.12 -31.97 71.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.34 110.865 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -68.51 -39.84 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 74.31 110.894 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -51.98 -52.0 53.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.03 110.942 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -58.18 -26.91 63.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.904 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -36.61 35.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.891 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 t -63.99 -28.24 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 75.33 111.122 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -59.59 -31.26 69.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.86 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -78.01 -49.14 14.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 75.4 110.848 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 m -63.82 -55.02 26.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.859 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -58.3 -32.21 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.02 111.136 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -51.53 -35.73 41.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 73.04 110.88 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -77.86 -33.65 52.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.835 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -64.68 -43.71 92.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 75.32 110.883 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -55.58 -26.05 41.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.88 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -51.88 -32.29 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.938 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -75.85 -33.82 60.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.968 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.97 -25.37 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.24 111.114 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.925 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.825 0.345 . . . . 74.51 110.828 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -68.89 -25.5 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.15 110.891 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -36.67 49.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -72.27 -31.82 66.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.884 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -66.26 -42.74 88.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.877 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -52.05 -43.58 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.825 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -67.6 -27.01 66.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 75.25 110.86 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -36.04 44.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.234 -0.439 . . . . 71.03 110.918 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.3 t -63.73 -28.16 44.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 71.2 111.132 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -59.4 -31.21 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 75.34 110.85 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.96 -49.11 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 65.32 110.898 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -54.94 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 75.21 110.858 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.42 -32.19 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 72.12 111.095 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -43.59 62.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 65.05 110.849 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -70.69 -27.25 63.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 74.25 110.912 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -31.82 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.905 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.69 -25.77 66.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 74.52 110.835 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -51.96 -30.15 23.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.878 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -34.56 47.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.938 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.6 mt -71.83 -27.71 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 61.22 111.128 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 71.12 110.905 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.837 0.351 . . . . 73.23 110.857 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -68.29 -22.48 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -48.25 63.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.909 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -25.89 64.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.951 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -83.14 -26.46 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.851 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -50.44 -49.13 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.877 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -60.87 -32.83 72.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 73.23 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -69.82 -37.25 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 70.01 110.912 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.1 -28.02 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 72.5 111.124 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.86 -31.0 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 75.42 110.871 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -52.58 18.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 71.3 110.858 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -66.32 -54.8 20.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 74.13 110.922 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.8 t -53.78 -34.46 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 63.44 111.138 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -51.46 -42.79 61.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.4 110.923 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -61.33 -34.07 74.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 72.45 110.898 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -62.12 -42.69 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.893 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.74 -25.08 62.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.912 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -51.78 -30.27 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 74.33 110.918 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -77.79 -34.91 52.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.923 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.1 mt -72.42 -25.06 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.33 111.085 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 71.25 110.905 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.805 0.336 . . . . 74.15 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -63.13 -25.5 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.906 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -37.24 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.944 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -69.81 -32.46 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.927 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -67.26 -41.44 85.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.12 110.885 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -51.84 -54.73 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.886 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -56.02 -26.8 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 74.44 110.911 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -37.9 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 74.02 110.879 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.48 -28.33 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 75.44 111.112 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -60.54 -31.31 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.976 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -78.08 -49.24 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.34 110.9 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.9 t -63.96 -54.95 26.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 74.14 110.82 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.4 t -58.21 -32.25 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 65.31 111.068 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -51.4 -46.76 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.894 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -67.1 -28.06 67.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.35 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -32.89 65.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.812 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.37 -26.2 66.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 71.23 110.969 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -31.22 27.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.927 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -78.2 -33.66 49.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 74.33 110.914 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.88 -25.75 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 74.23 111.133 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.895 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.88 0.371 . . . . 74.4 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -56.62 -24.17 46.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 74.35 110.828 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -45.55 63.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 74.43 110.922 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -63.68 -27.64 69.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 64.11 110.937 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -79.85 -26.73 40.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 75.2 110.901 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -50.81 -47.28 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.857 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -62.8 -30.9 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.883 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -71.91 -36.68 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 75.03 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -79.33 -28.07 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 73.3 111.105 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -51.16 -30.83 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.9 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -51.64 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.908 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -55.34 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.2 t -57.05 -34.86 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 64.43 111.132 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -51.79 -47.2 64.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.933 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -63.08 -35.8 81.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 71.45 110.897 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -57.3 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 74.22 110.782 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.79 -24.72 60.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 74.3 110.884 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -52.44 -29.62 25.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.911 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -79.92 -32.82 40.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 62.52 110.895 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.3 mt -74.06 -25.11 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 72.44 111.152 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.907 179.948 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.759 0.314 . . . . 75.24 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -96.46 -27.44 14.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.821 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -68.84 -25.1 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 75.15 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -38.25 55.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.895 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -68.47 -31.99 71.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.894 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -69.05 -39.13 79.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.11 110.858 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -52.01 -54.76 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.3 110.864 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -56.28 -26.92 53.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 70.34 110.901 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.01 -37.69 38.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.933 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.9 t -64.28 -28.18 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 71.32 111.141 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -59.72 -31.18 69.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.926 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -49.12 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 74.42 110.86 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -63.85 -55.04 25.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 73.22 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.2 t -58.23 -32.25 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 74.14 111.15 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -51.49 -32.87 29.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.836 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -77.71 -34.44 52.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 75.52 110.915 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -40.24 96.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.893 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.23 -26.16 62.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 74.44 110.906 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -52.33 -32.95 40.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.24 110.886 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.7 -31.62 52.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.89 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.2 mt -74.06 -26.35 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.41 111.129 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -99.3 38.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.835 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.95 21.52 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 74.45 110.898 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -80.62 160.6 66.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.544 0.688 . . . . 71.01 110.89 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.55 37.07 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.662 2.242 . . . . 74.12 112.333 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 ttm -71.33 -40.96 70.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.868 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.16 149.49 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 73.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.5 mm -119.96 145.28 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.4 111.124 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.17 43.33 5.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 61.15 112.455 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 m -144.37 117.45 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 63.32 111.105 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.2 p -106.56 143.34 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 72.33 111.134 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -62.92 132.0 94.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.572 0.701 . . . . 73.21 111.164 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 101.63 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 70.11 112.388 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 75.12 110.909 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.755 0.312 . . . . 74.22 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -77.31 -37.46 52.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 73.21 110.886 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -63.95 -25.25 68.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -37.68 52.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 75.55 110.966 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -68.71 -32.37 72.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.91 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -68.51 -39.82 81.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 60.02 110.877 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -51.63 -54.98 22.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -55.1 -26.86 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.932 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -36.04 35.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.913 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 t -66.08 -32.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 73.34 111.139 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -64.21 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 75.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -51.45 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 64.31 110.919 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -67.32 -55.0 15.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.3 110.848 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -54.04 -33.26 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.01 111.136 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -51.29 -45.33 62.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.889 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -59.88 -30.76 69.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 73.54 110.927 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -70.53 -57.69 4.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 75.5 110.875 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mt -62.07 -26.24 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.938 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -52.06 -29.92 23.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.918 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -80.11 -33.76 38.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 73.0 110.955 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.6 mt -72.6 -26.59 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 73.34 111.179 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -97.31 39.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 72.54 110.891 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -30.18 52.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 61.5 110.941 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -70.35 160.62 80.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.513 0.673 . . . . 73.42 110.934 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 107.26 1.81 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.668 2.245 . . . . 75.1 112.38 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 10.1 mtp -67.16 -70.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 72.04 110.88 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -171.91 145.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 72.25 111.151 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.9 mm -116.65 147.17 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 65.24 111.107 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.14 -20.17 24.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 74.34 112.441 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 m -145.46 124.99 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 74.3 111.167 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.2 p -125.12 145.24 50.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 62.31 111.176 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -53.87 131.46 57.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 73.41 111.128 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -48.33 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.229 . . . . 73.05 112.285 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.4 110.885 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.771 0.32 . . . . 74.01 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.85 -26.69 25.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 73.13 110.84 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -70.75 -25.32 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.87 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -36.79 51.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.825 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -71.25 -31.88 68.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 73.43 110.844 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -67.08 -41.61 86.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 72.31 110.893 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -51.76 -46.44 64.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 73.44 110.916 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -64.16 -26.82 68.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.55 110.857 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -35.05 44.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.877 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.9 t -66.85 -31.58 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 73.13 111.097 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -31.34 72.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 73.15 110.93 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -50.8 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.972 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -66.99 -54.96 16.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 64.35 110.777 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -54.88 -32.92 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 70.14 111.108 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -51.41 -39.85 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.927 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -70.17 -32.52 70.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.925 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -61.73 -56.44 19.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 64.31 110.858 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.7 -26.0 68.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.975 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -51.95 -31.3 28.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.922 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -32.56 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.4 110.911 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.8 mt -74.37 -25.29 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 73.3 111.114 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -99.05 29.34 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.68 -35.15 24.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.33 110.942 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -63.74 160.65 43.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 73.22 110.945 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -16.91 37.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.713 2.275 . . . . 72.15 112.331 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -27.51 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.895 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.34 147.69 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 73.24 111.132 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.0 mm -105.13 144.87 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 70.54 111.154 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.28 30.15 3.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 71.13 112.453 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 m -147.98 125.12 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 72.34 111.134 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -146.46 144.54 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 74.34 111.169 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp -68.3 131.58 91.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.651 0.739 . . . . 74.44 111.049 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -48.33 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 63.25 112.346 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.897 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.1 tttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.739 0.304 . . . . 75.33 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.53 -40.77 8.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 72.5 110.868 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -62.34 -25.1 67.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 70.13 110.921 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.91 -38.71 57.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 74.12 110.841 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -67.45 -31.93 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 75.4 110.945 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -69.9 -38.39 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.87 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -51.95 -54.9 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.892 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -26.83 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.862 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -35.08 36.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.915 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 t -67.22 -28.21 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 63.44 111.111 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.49 -31.26 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.921 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -78.02 -49.11 14.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 64.11 110.86 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -63.89 -54.99 26.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 73.35 110.854 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -58.36 -32.15 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 70.14 111.111 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -34.45 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.52 110.903 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -65.09 -38.75 91.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.911 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -62.54 -52.96 61.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 75.33 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mt -64.82 -26.03 68.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.968 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -52.05 -30.0 23.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.22 110.859 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -81.66 -32.93 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.897 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.4 mt -74.04 -25.6 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.44 111.164 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -98.0 31.09 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.781 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.77 -32.38 13.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 72.54 110.883 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -133.12 160.64 67.87 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 74.34 110.898 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 115.62 4.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.789 2.326 . . . . 63.41 112.279 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.8 -58.51 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.898 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -61.15 152.5 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 75.31 111.068 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.2 mm -111.89 143.5 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 74.34 111.101 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.36 29.69 5.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 71.12 112.502 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.7 m -148.67 126.99 3.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.92 0.391 . . . . 74.05 111.166 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 79.4 p -105.72 144.51 32.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 74.53 111.128 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -68.65 131.51 91.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 73.15 111.093 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 99.48 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 2.256 . . . . 63.31 112.279 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.794 0.331 . . . . 71.34 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -96.79 -31.83 12.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 74.12 110.91 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -68.69 -24.59 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.01 110.862 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -39.18 58.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 75.22 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -66.91 -31.87 72.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.914 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -70.76 -36.58 73.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -51.73 -42.05 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.41 110.845 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -72.23 -26.81 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 70.03 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -31.31 55.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.31 110.9 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 t -66.36 -31.86 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.135 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -64.12 -31.28 72.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -73.66 -51.68 15.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.906 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -67.0 -54.84 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.921 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.6 t -54.17 -33.46 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 75.44 111.12 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -51.41 -40.28 58.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 75.23 110.875 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -71.2 -30.84 66.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.35 110.849 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -65.51 -58.04 6.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 73.05 110.874 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.55 -26.44 54.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.841 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -29.79 25.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.848 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -80.2 -33.47 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.869 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.4 mt -72.7 -25.65 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 75.23 111.17 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -98.87 40.09 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.892 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -95.93 21.47 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.854 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.48 160.63 27.6 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.545 0.688 . . . . 71.02 110.894 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.69 99.14 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.706 2.271 . . . . 73.5 112.342 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.06 -56.62 2.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 72.54 110.87 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.99 140.11 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.22 111.124 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.9 mm -119.96 135.4 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 74.03 111.126 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.14 29.24 4.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.48 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 m -146.39 125.61 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 72.1 111.101 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.0 p -84.47 144.61 28.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 63.1 111.116 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -63.14 131.49 94.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.72 . . . . 73.45 111.085 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 81.84 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.652 2.235 . . . . 73.3 112.348 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.768 0.318 . . . . 74.23 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -95.58 16.08 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.889 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -58.88 -24.91 62.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.91 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -38.89 58.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 74.4 110.908 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.874 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -70.06 -37.92 75.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.418 . . . . 73.1 110.904 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.05 -53.88 36.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 73.52 110.899 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -56.8 -26.93 59.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.84 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -36.32 38.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 73.51 110.921 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.1 t -65.15 -28.2 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.12 111.086 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -31.3 69.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.937 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -78.0 -49.07 14.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.911 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 t -63.84 -55.06 25.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 54.24 110.821 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.28 -32.32 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.42 111.108 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -51.35 -38.86 55.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.965 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -70.81 -33.59 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.829 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.69 -58.38 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.8 -26.08 67.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 75.14 110.881 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -52.54 -30.4 30.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.884 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -80.14 -31.93 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 75.01 110.874 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.0 mt -74.51 -25.26 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 73.13 111.141 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -100.13 31.01 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.9 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 21.46 8.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 63.4 110.928 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.79 160.69 25.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.576 0.703 . . . . 74.41 110.913 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -17.92 37.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 63.14 112.445 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.6 mtt -54.73 -37.17 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.52 110.854 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 p -58.12 137.45 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.23 111.114 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mm -100.44 139.48 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.24 111.094 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.19 39.92 2.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 70.5 112.474 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.6 m -140.05 122.19 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.934 0.397 . . . . 65.42 111.135 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.8 p -142.25 145.66 34.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 63.55 111.137 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 tt -60.54 132.11 90.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 75.52 111.094 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 90.3 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 73.52 112.332 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 73.33 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.4 tptm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.86 0.362 . . . . 75.33 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -93.19 16.12 13.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.821 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -65.48 -25.22 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.94 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -51.97 -37.61 53.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.919 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -69.43 -32.13 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.879 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -68.03 -40.53 82.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.824 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -52.04 -53.51 41.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 74.3 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -57.13 -26.9 61.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -37.58 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 75.52 110.889 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.95 -28.28 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 74.21 111.133 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -59.6 -31.26 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.863 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -49.05 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.986 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -63.82 -55.06 25.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 61.14 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.0 t -58.28 -32.15 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 74.44 111.181 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -51.53 -48.49 62.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.934 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -63.96 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.933 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -61.68 -58.39 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.881 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.1 -25.73 65.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.891 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -51.95 -33.31 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 74.54 110.83 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -77.32 -32.33 55.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.873 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.5 mt -73.53 -25.16 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 72.44 111.161 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -101.42 26.53 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 62.13 110.811 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -26.14 18.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.913 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -59.67 160.72 13.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 65.42 110.88 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -16.8 37.5 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 74.54 112.356 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -66.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.873 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -63.5 132.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 61.31 111.162 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.1 mt -126.69 138.42 54.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 74.15 111.187 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.42 51.43 3.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 74.12 112.529 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.4 m -128.31 113.31 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.422 . . . . 73.43 111.097 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -134.43 145.15 48.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 73.44 111.162 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -63.28 131.51 94.8 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.621 0.724 . . . . 75.31 111.139 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 75.03 112.334 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.921 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.819 0.342 . . . . 75.55 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.42 -27.05 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 73.02 110.873 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -63.0 -25.2 68.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.12 110.939 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.88 -38.21 55.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.43 110.903 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -67.88 -32.2 72.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.875 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -69.11 -39.31 79.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.872 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.09 -50.71 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 73.22 110.855 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -60.73 -26.89 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 72.43 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -28.72 36.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 71.34 110.92 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.3 t -72.56 -32.0 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.43 111.133 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -51.64 -31.12 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.856 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -69.91 -50.41 42.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 75.11 110.876 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -68.77 -55.05 12.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.831 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -54.2 -32.13 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 73.31 111.147 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -39.67 57.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.947 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -66.67 -33.71 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.89 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -63.21 -41.28 99.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.796 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.37 -26.13 64.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 74.45 110.845 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -52.23 -30.06 25.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 73.41 110.927 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -79.27 -33.88 43.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.873 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.8 mt -72.3 -28.54 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.33 111.158 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -96.72 29.72 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 75.12 110.866 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -79.9 -36.73 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 72.01 110.936 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -54.99 160.68 2.84 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.574 0.702 . . . . 73.25 110.866 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -21.62 33.17 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.658 2.239 . . . . 74.11 112.306 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.53 64.91 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.11 110.842 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.09 144.62 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 71.31 111.124 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.85 142.83 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.02 111.108 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.76 32.66 5.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.678 -0.772 . . . . 73.13 112.45 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.5 m -142.38 118.98 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 74.34 111.145 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.6 p -91.65 142.76 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.157 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -56.76 131.48 78.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 75.41 111.141 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 95.87 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 71.12 112.344 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 74.2 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.746 0.307 . . . . 75.3 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -101.75 -41.82 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 70.54 110.82 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -62.79 -25.02 68.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.85 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -51.82 -38.45 55.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 75.22 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -67.82 -32.12 72.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.911 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -69.48 -38.52 77.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 74.54 110.934 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -51.64 -54.76 24.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.41 110.859 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -56.34 -26.88 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.882 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.22 -35.81 41.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.887 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 t -66.19 -32.38 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 71.5 111.121 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -31.43 72.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.924 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.48 -51.46 17.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 65.32 110.83 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.5 m -67.27 -54.89 16.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.858 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.16 -33.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.31 111.125 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -51.37 -43.96 61.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 73.12 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -67.75 -28.67 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 75.22 110.873 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -48.72 79.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.852 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mt -60.98 -26.02 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.03 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -52.12 -30.04 24.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 75.54 110.861 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -78.98 -34.43 44.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 72.52 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.8 mt -72.13 -26.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.32 111.144 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -100.04 35.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.12 110.862 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -86.84 -30.4 21.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 73.21 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -67.13 160.7 69.24 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.628 0.728 . . . . 75.33 110.84 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 108.97 2.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 74.02 112.316 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.0 mmt -71.85 -73.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.937 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -175.64 136.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 70.53 111.138 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 mp -116.47 138.42 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.187 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.13 50.88 1.54 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.69 -0.767 . . . . 63.32 112.448 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -148.52 125.73 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 74.13 111.087 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 p -148.87 144.96 27.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 74.2 111.158 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 tp -53.83 131.39 57.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 73.11 111.143 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -38.34 7.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 75.43 112.365 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 73.1 110.886 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.778 0.323 . . . . 72.13 110.917 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -35.23 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 75.45 110.918 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -63.21 -25.28 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.815 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -37.64 53.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 62.24 110.836 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -32.23 71.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 75.54 110.816 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -68.49 -40.03 81.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 71.24 110.905 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -51.66 -51.31 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.905 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -59.56 -26.89 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.841 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -35.62 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.22 110.885 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.9 t -67.03 -30.55 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 64.33 111.095 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -64.18 -31.34 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.929 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -74.89 -50.34 17.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.893 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.9 m -66.83 -54.96 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.51 110.834 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.8 t -55.42 -32.47 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.493 . . . . 74.53 111.086 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -51.41 -43.16 61.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 75.04 110.821 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -62.04 -34.44 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 64.4 110.892 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -65.98 -58.21 6.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 73.55 110.937 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -60.05 -26.04 65.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.979 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -52.31 -29.92 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 71.44 110.887 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -82.37 -31.89 29.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.859 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.03 -25.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 73.43 111.114 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -97.05 38.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 75.44 110.885 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.74 21.47 8.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 71.44 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -103.1 160.71 25.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.541 0.686 . . . . 74.42 110.863 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -17.02 37.68 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.252 . . . . 75.13 112.372 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -48.33 69.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.88 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.12 137.64 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 75.25 111.112 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.3 mt -118.59 142.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 70.23 111.148 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.21 46.58 0.99 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 75.43 112.498 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.1 m -149.17 126.36 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 73.04 111.141 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.4 p -106.36 143.08 35.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 73.54 111.17 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 tp -61.54 131.41 92.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 74.23 111.1 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.42 7.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.73 2.287 . . . . 75.41 112.312 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.34 110.852 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.804 0.335 . . . . 74.14 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.29 -28.0 17.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.846 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -70.08 -25.12 63.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.867 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -37.94 54.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.941 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -31.35 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.945 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -68.14 -40.18 82.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.41 110.864 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -52.03 -49.81 62.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.901 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -26.87 67.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 74.51 110.936 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -36.82 39.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.859 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.5 t -63.65 -28.19 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 73.45 111.104 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -31.34 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.901 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.99 -49.14 14.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 71.11 110.851 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -54.99 26.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 72.44 110.895 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.7 t -58.39 -32.25 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 74.21 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.42 59.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.909 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -60.37 -35.9 76.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 73.55 110.841 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -65.34 -51.69 58.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.17 -25.91 68.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -51.98 -30.06 23.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.856 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 -32.76 30.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.867 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.9 mt -75.25 -25.43 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.135 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -96.02 26.73 3.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 72.31 110.92 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.21 -29.85 13.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 73.31 110.838 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -69.75 160.67 78.96 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.565 0.697 . . . . 74.23 110.913 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -18.4 36.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.706 2.271 . . . . 74.13 112.336 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -64.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 75.23 110.907 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.3 m -54.03 150.51 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 73.21 111.072 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.7 143.0 41.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.15 111.097 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.53 30.16 3.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.809 -0.71 . . . . 72.12 112.509 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 m -146.41 109.63 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.915 0.388 . . . . 72.13 111.121 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.5 p -130.23 145.67 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 72.14 111.116 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 tt -67.55 132.26 92.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 73.5 111.121 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -36.79 10.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 73.25 112.371 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.14 110.855 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 mttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.795 0.331 . . . . 74.21 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -101.64 -32.36 10.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 75.13 110.825 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -64.75 -25.26 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.911 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -37.35 51.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 72.11 110.886 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -70.01 -32.25 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.964 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -67.56 -40.86 84.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -51.58 -46.54 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.34 110.916 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -64.17 -26.78 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 74.04 110.968 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.4 -34.3 41.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.876 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.6 t -66.11 -32.8 59.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 75.31 111.152 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -64.02 -31.33 72.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 70.32 110.913 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -73.53 -51.54 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.93 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 m -67.2 -54.88 17.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.864 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.22 -33.19 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 71.3 111.166 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -51.32 -40.54 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 75.32 110.891 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -65.86 -33.14 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.871 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -66.26 -55.84 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.888 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.9 -25.95 63.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.35 110.924 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -52.13 -34.9 46.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 73.32 110.838 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -31.43 58.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.966 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.15 -26.03 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.137 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -100.54 37.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.844 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -35.47 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.9 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 155.06 3.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.493 0.663 . . . . 74.15 110.951 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 94.96 0.53 Allowed 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.774 2.316 . . . . 75.12 112.323 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -74.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 74.31 110.803 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.89 145.51 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 72.41 111.169 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.7 mt -126.26 132.76 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.1 111.113 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.78 26.26 8.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.823 -0.703 . . . . 73.04 112.505 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 m -148.37 122.7 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 75.14 111.084 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.1 p -112.42 144.5 41.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 63.42 111.103 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp -66.52 131.46 94.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.715 . . . . 75.25 111.22 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -48.36 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.723 2.282 . . . . 74.52 112.311 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.905 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.4 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 74.1 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -30.75 33.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.903 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -68.48 -25.24 64.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.881 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -51.94 -37.77 53.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 75.04 110.866 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -69.17 -32.19 71.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.872 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -68.16 -40.27 82.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.861 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -51.92 -54.87 24.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 70.41 110.908 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -26.91 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 72.24 110.887 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -37.9 36.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.88 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.28 -28.23 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 74.25 111.107 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -59.59 -31.3 69.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.903 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.05 -49.12 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 74.24 110.902 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -55.0 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 75.42 110.851 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.6 t -58.22 -32.28 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 74.23 111.142 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -36.4 43.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -71.81 -34.19 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.837 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -65.81 -51.8 56.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.913 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -56.35 -26.17 51.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.955 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -30.08 25.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 75.02 110.881 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -79.47 -33.47 42.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.941 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.7 mt -73.28 -25.37 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.54 111.206 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -100.04 40.11 1.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.944 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -80.13 -26.41 39.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 73.21 110.916 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.81 160.62 49.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.53 0.681 . . . . 65.15 110.916 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 84.05 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 71.4 112.369 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -56.63 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 73.55 110.853 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.65 139.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 63.25 111.106 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.52 144.81 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.41 111.142 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.92 21.7 6.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 75.41 112.516 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.0 m -139.9 118.97 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.956 0.408 . . . . 72.53 111.121 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.8 p -58.44 142.77 47.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 62.24 111.153 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 tt -62.72 132.3 94.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 74.41 111.116 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -36.79 10.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 73.4 112.359 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 73.41 110.892 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.4 mttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.766 0.317 . . . . 74.12 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.68 -39.0 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 73.24 110.835 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -61.68 -25.42 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.81 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -51.98 -36.52 49.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 73.34 110.938 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -72.0 -31.89 66.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.903 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -66.48 -42.3 87.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 74.4 110.875 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -51.61 -53.35 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.879 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -56.92 -26.85 60.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.922 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -36.77 37.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 72.41 110.919 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.0 t -65.98 -32.08 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 73.12 111.174 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -64.18 -31.33 72.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 75.41 110.898 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -73.27 -51.27 18.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.836 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -67.61 -54.91 15.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 52.53 110.889 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.7 t -54.18 -32.94 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 74.41 111.135 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -51.38 -37.12 46.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 74.51 110.891 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -58.56 -42.01 86.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 75.23 110.86 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -61.19 -55.56 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.838 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.82 -25.91 68.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 72.13 110.889 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -52.91 -30.49 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.887 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.75 -31.36 40.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 74.33 110.926 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.9 mt -75.08 -25.2 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 75.32 111.184 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -100.28 28.76 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.41 110.902 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.32 -35.8 11.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 75.34 110.891 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 155.06 3.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.606 0.717 . . . . 72.33 110.863 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 116.83 4.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 73.31 112.36 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -73.81 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 75.02 110.885 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.07 139.0 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.22 111.14 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.2 mm -122.61 138.81 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.31 111.087 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.76 51.36 3.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 72.14 112.491 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 m -133.0 115.72 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 71.2 111.136 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.4 p -134.82 145.6 48.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 72.23 111.158 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -57.55 131.52 81.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.653 0.74 . . . . 73.14 111.085 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 95.57 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.713 2.275 . . . . 73.22 112.311 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 63.53 110.891 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.715 0.293 . . . . 75.41 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.3 16.26 13.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.844 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -67.84 -25.0 65.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.791 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -51.89 -38.63 56.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 72.52 110.92 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -67.92 -31.86 71.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.297 -0.41 . . . . 73.15 110.893 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -69.79 -38.05 76.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 73.25 110.875 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -51.84 -49.07 63.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 64.01 110.939 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -26.85 68.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 75.35 110.905 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.41 -35.15 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 74.32 110.867 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 t -65.26 -28.27 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.33 111.152 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -61.67 -31.33 71.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.846 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -49.2 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 73.12 110.855 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -55.01 21.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 74.22 110.902 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.2 t -57.36 -32.25 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 73.5 111.157 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -42.04 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -65.81 -34.41 78.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 71.33 110.9 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -65.99 -54.95 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -56.14 -26.18 49.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 75.33 110.873 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -52.1 -31.76 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.891 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -32.98 52.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 75.1 110.887 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.35 -27.11 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.4 111.146 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -98.11 27.28 4.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 71.43 110.908 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -78.86 -34.5 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.902 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 155.08 3.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.584 0.707 . . . . 74.42 110.944 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 150.32 67.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.256 . . . . 72.04 112.337 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 10.9 ttm -75.94 -60.35 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.51 110.902 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.0 134.77 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.107 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.72 138.4 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.3 111.092 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.96 40.94 2.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 75.23 112.492 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 m -144.52 124.77 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 71.33 111.101 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.3 p -140.58 145.48 36.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -56.32 132.03 75.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 75.21 111.146 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 105.84 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.259 . . . . 70.53 112.321 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 75.21 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.831 0.348 . . . . 72.13 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -65.55 -35.17 80.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.836 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -72.67 -25.18 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.829 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -38.08 54.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.907 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -69.12 -31.97 71.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.34 110.865 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -68.51 -39.84 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 74.31 110.894 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -51.98 -52.0 53.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.03 110.942 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -58.18 -26.91 63.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.904 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -36.61 35.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.891 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 t -63.99 -28.24 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 75.33 111.122 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -59.59 -31.26 69.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.86 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -78.01 -49.14 14.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 75.4 110.848 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 m -63.82 -55.02 26.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.859 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -58.3 -32.21 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.02 111.136 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -51.53 -35.73 41.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 73.04 110.88 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -77.86 -33.65 52.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.835 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -64.68 -43.71 92.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 75.32 110.883 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -55.58 -26.05 41.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.88 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -51.88 -32.29 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.938 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -75.85 -33.82 60.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.968 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.97 -25.37 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.24 111.114 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -99.63 40.03 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.925 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.28 21.49 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.907 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.19 160.65 81.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.524 0.678 . . . . 74.45 110.864 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 141.0 44.1 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.682 2.255 . . . . 75.11 112.307 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.8 mtt -74.09 -50.19 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.79 145.75 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 75.15 111.107 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.4 mt -97.38 133.13 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 75.5 111.09 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.28 46.41 1.57 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.761 -0.733 . . . . 63.54 112.523 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 m -144.95 125.05 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.937 0.399 . . . . 72.42 111.119 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.4 p -126.73 145.24 50.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 73.41 111.139 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 tt -56.18 131.43 74.96 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.608 0.718 . . . . 73.24 111.107 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -49.44 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 71.53 112.331 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 70.42 110.938 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.3 tttp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.778 0.323 . . . . 75.4 110.854 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -94.71 16.13 16.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 74.51 110.828 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -68.89 -25.5 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.15 110.891 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -36.67 49.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -72.27 -31.82 66.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.884 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -66.26 -42.74 88.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.877 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -52.05 -43.58 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.825 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -67.6 -27.01 66.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 75.25 110.86 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -36.04 44.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.234 -0.439 . . . . 71.03 110.918 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.3 t -63.73 -28.16 44.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 71.2 111.132 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -59.4 -31.21 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 75.34 110.85 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.96 -49.11 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 65.32 110.898 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -54.94 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 75.21 110.858 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.42 -32.19 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 72.12 111.095 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -43.59 62.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 65.05 110.849 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -70.69 -27.25 63.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 74.25 110.912 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -31.82 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.905 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.69 -25.77 66.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 74.52 110.835 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -51.96 -30.15 23.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.878 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -34.56 47.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.938 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.6 mt -71.83 -27.71 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 61.22 111.128 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -98.97 35.9 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 71.12 110.905 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -79.93 -34.84 38.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 75.52 110.861 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 155.01 3.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.578 0.704 . . . . 73.32 110.845 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 106.07 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.224 . . . . 75.45 112.31 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -69.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.903 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.72 139.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 72.11 111.136 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.3 mt -125.59 143.76 38.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 75.23 111.205 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.83 50.86 3.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 72.22 112.473 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 m -147.44 125.08 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 73.44 111.156 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.6 p -144.68 143.08 30.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 74.04 111.215 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp -54.79 131.44 65.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.604 0.716 . . . . 74.24 111.152 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -48.9 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.729 2.286 . . . . 74.41 112.36 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.759 0.314 . . . . 74.44 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.12 -31.04 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.857 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -68.29 -22.48 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -48.25 63.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.909 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -25.89 64.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.951 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -83.14 -26.46 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.851 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -50.44 -49.13 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.877 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -60.87 -32.83 72.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 73.23 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -69.82 -37.25 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 70.01 110.912 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.1 -28.02 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 72.5 111.124 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.86 -31.0 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 75.42 110.871 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -52.58 18.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 71.3 110.858 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -66.32 -54.8 20.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 74.13 110.922 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.8 t -53.78 -34.46 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 63.44 111.138 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -51.46 -42.79 61.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.4 110.923 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -61.33 -34.07 74.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 72.45 110.898 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -62.12 -42.69 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.893 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.74 -25.08 62.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.912 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -51.78 -30.27 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 74.33 110.918 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -77.79 -34.91 52.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.923 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.1 mt -72.42 -25.06 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.33 111.085 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -100.7 40.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 71.25 110.905 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.18 -26.12 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 74.01 110.945 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -58.23 160.74 8.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 75.51 110.847 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 152.63 69.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.679 2.253 . . . . 73.11 112.377 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.11 91.15 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 64.34 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.59 141.67 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 64.34 111.156 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.5 mt -121.8 143.35 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.14 111.11 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.74 -19.74 23.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 74.43 112.433 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.79 124.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 74.11 111.109 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.7 p -71.49 143.69 49.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 70.01 111.079 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -59.94 132.04 89.39 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.635 0.731 . . . . 74.32 111.159 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 103.56 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 71.54 112.326 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.895 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.76 0.314 . . . . 74.01 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -95.55 16.13 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.915 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -63.13 -25.5 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.906 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -37.24 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.944 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -69.81 -32.46 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.927 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -67.26 -41.44 85.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.12 110.885 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -51.84 -54.73 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.886 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -56.02 -26.8 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 74.44 110.911 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -37.9 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 74.02 110.879 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.48 -28.33 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 75.44 111.112 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -60.54 -31.31 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.976 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -78.08 -49.24 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.34 110.9 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.9 t -63.96 -54.95 26.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 74.14 110.82 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.4 t -58.21 -32.25 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 65.31 111.068 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -51.4 -46.76 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.894 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -67.1 -28.06 67.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.35 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -32.89 65.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.812 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.37 -26.2 66.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 71.23 110.969 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -31.22 27.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.927 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -78.2 -33.66 49.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 74.33 110.914 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.88 -25.75 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 74.23 111.133 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -99.79 36.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.895 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -29.7 56.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 74.12 110.912 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -63.17 160.67 37.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 64.22 110.915 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 139.27 40.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 73.31 112.393 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.3 ttp -104.56 -47.25 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 62.41 110.896 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -173.08 142.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 73.11 111.088 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.3 mt -92.83 127.87 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.13 111.159 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.32 50.96 0.69 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.744 -0.741 . . . . 60.21 112.476 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.1 m -137.86 112.99 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 72.54 111.086 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.9 p -76.71 143.12 40.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 72.41 111.122 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.3 tt -63.01 130.25 93.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.659 0.743 . . . . 75.41 111.149 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -36.64 10.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 72.15 112.293 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.847 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.789 0.328 . . . . 74.53 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -108.92 16.44 22.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.948 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -56.62 -24.17 46.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 74.35 110.828 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -45.55 63.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 74.43 110.922 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -63.68 -27.64 69.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 64.11 110.937 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -79.85 -26.73 40.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 75.2 110.901 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -50.81 -47.28 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.857 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -62.8 -30.9 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.883 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -71.91 -36.68 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 75.03 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -79.33 -28.07 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 73.3 111.105 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -51.16 -30.83 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.9 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -51.64 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.908 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -55.34 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.2 t -57.05 -34.86 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 64.43 111.132 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -51.79 -47.2 64.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.933 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -63.08 -35.8 81.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 71.45 110.897 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -57.3 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 74.22 110.782 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.79 -24.72 60.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 74.3 110.884 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -52.44 -29.62 25.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.911 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -79.92 -32.82 40.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 62.52 110.895 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.3 mt -74.06 -25.11 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 72.44 111.152 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -101.7 26.9 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.907 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.12 -29.4 15.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 74.54 110.888 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -59.63 160.71 13.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.716 . . . . 73.24 110.869 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 84.16 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.716 2.278 . . . . 75.42 112.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -71.42 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.93 145.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.1 111.189 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.5 mp -91.42 123.83 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.43 111.129 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.49 48.99 0.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 70.42 112.487 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 m -148.25 122.05 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 75.02 111.125 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.2 p -126.96 143.67 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 70.33 111.094 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -58.98 131.43 86.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 64.32 111.141 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 102.38 1.02 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 71.45 112.33 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 72.22 110.894 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.815 0.341 . . . . 73.44 110.821 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -68.84 -25.1 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 75.15 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -38.25 55.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.895 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -68.47 -31.99 71.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.894 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.8 t80 -69.05 -39.13 79.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.11 110.858 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -52.01 -54.76 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.3 110.864 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -56.28 -26.92 53.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 70.34 110.901 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.01 -37.69 38.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.933 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 6' ' ' PHE . 15.9 t -64.28 -28.18 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 71.32 111.141 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -59.72 -31.18 69.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 70.43 110.926 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -49.12 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 73.32 110.86 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -63.85 -55.04 25.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 62.34 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.534 HG23 HG12 ' A' ' 10' ' ' VAL . 49.2 t -58.23 -32.25 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 71.02 111.15 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -51.49 -32.87 29.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.836 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -77.71 -34.44 52.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 63.23 110.915 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -40.24 96.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.893 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.466 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -58.23 -26.16 62.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 64.42 110.906 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -52.33 -32.95 40.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 62.41 110.886 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.7 -31.62 52.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.89 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.2 mt -74.06 -26.35 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.41 111.129 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.466 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.8 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.835 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.842 0.353 . . . . 73.21 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -63.95 -25.25 68.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 63.33 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -37.68 52.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 71.41 110.966 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -68.71 -32.37 72.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 52.51 110.91 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.679 ' O ' HG23 ' A' ' 10' ' ' VAL . 23.4 t80 -68.51 -39.82 81.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 60.02 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -51.63 -54.98 22.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 72.02 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -55.1 -26.86 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 62.52 110.932 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -36.04 35.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.913 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.8 t -66.08 -32.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 73.34 111.139 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -64.21 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 75.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -51.45 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 64.31 110.919 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -67.32 -55.0 15.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 65.31 110.848 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.516 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.5 t -54.04 -33.26 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 70.03 111.136 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -51.29 -45.33 62.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.889 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -59.88 -30.76 69.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 55.42 110.927 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -70.53 -57.69 4.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 75.5 110.875 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.474 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.0 mt -62.07 -26.24 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.938 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -52.06 -29.92 23.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.918 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -80.11 -33.76 38.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 72.15 110.955 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.6 mt -72.6 -26.59 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 73.34 111.179 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.474 ' HE2' HD22 ' A' ' 18' ' ' LEU . 61.3 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 70.01 110.891 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 73.13 110.84 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -70.75 -25.32 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.87 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -36.79 51.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 64.54 110.825 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -71.25 -31.88 68.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 73.43 110.844 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.9 t80 -67.08 -41.61 86.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 72.31 110.893 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -51.76 -46.44 64.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 72.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -64.16 -26.82 68.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.857 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -35.05 44.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.877 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 6' ' ' PHE . 11.9 t -66.85 -31.58 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 73.13 111.097 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -31.34 72.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 61.11 110.93 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -50.8 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.972 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -66.99 -54.96 16.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 51.34 110.777 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG2' HG12 ' A' ' 10' ' ' VAL . 54.2 t -54.88 -32.92 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 62.44 111.108 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -51.41 -39.85 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.927 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -70.17 -32.52 70.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.925 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -61.73 -56.44 19.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 60.31 110.858 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.502 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.8 mt -62.7 -26.0 68.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.975 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -51.95 -31.3 28.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 62.41 110.922 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -32.56 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.4 110.911 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.8 mt -74.37 -25.29 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 51.55 111.114 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.502 ' HE2' HD22 ' A' ' 18' ' ' LEU . 55.9 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.896 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.819 0.342 . . . . 72.21 110.868 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -62.34 -25.1 67.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 44.13 110.921 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.91 -38.71 57.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.841 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -67.45 -31.93 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 75.4 110.945 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.673 ' O ' HG23 ' A' ' 10' ' ' VAL . 23.0 t80 -69.9 -38.39 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 74.15 110.87 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -51.95 -54.9 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.892 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -26.83 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.862 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -35.08 36.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 64.34 110.915 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.0 t -67.22 -28.21 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 54.15 111.111 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.49 -31.26 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.921 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -78.02 -49.11 14.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 61.11 110.86 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -63.89 -54.99 26.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 44.23 110.854 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.537 HG23 HG12 ' A' ' 10' ' ' VAL . 48.9 t -58.36 -32.15 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 63.23 111.111 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -34.45 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 72.35 110.903 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -65.09 -38.75 91.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.911 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -62.54 -52.96 61.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.15 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.512 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.8 mt -64.82 -26.03 68.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.01 110.968 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -52.05 -30.0 23.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.22 110.859 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -81.66 -32.93 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 72.02 110.897 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.4 mt -74.04 -25.6 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 63.4 111.164 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' HE2' HD22 ' A' ' 18' ' ' LEU . 52.8 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.781 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 74.12 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -68.69 -24.59 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 64.15 110.862 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -39.18 58.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 72.34 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -66.91 -31.87 72.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 55.33 110.914 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.733 ' O ' HG23 ' A' ' 10' ' ' VAL . 28.1 t80 -70.76 -36.58 73.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.9 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -51.73 -42.05 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.41 110.845 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -72.23 -26.81 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 64.25 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -31.31 55.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.9 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.3 t -66.36 -31.86 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.05 111.135 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -64.12 -31.28 72.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -73.66 -51.68 15.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 71.31 110.906 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -67.0 -54.84 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.921 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.546 ' CG2' HG12 ' A' ' 10' ' ' VAL . 54.6 t -54.17 -33.46 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 61.31 111.12 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -51.41 -40.28 58.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 75.23 110.875 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -71.2 -30.84 66.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.35 110.849 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -65.51 -58.04 6.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 73.05 110.874 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.449 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.3 mt -56.55 -26.44 54.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.841 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -29.79 25.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.848 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -80.2 -33.47 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.869 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.4 mt -72.7 -25.65 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 72.2 111.17 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' HE2' HD22 ' A' ' 18' ' ' LEU . 63.7 m-85 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 71.32 110.892 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.847 0.356 . . . . 73.04 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -58.88 -24.91 62.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.91 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -38.89 58.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 74.4 110.908 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.874 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.683 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.9 t80 -70.06 -37.92 75.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.418 . . . . 72.34 110.904 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.05 -53.88 36.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 71.32 110.899 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -56.8 -26.93 59.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.84 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -36.32 38.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 73.51 110.921 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.1 t -65.15 -28.2 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 53.42 111.086 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -31.3 69.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.937 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -78.0 -49.07 14.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 72.04 110.911 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 t -63.84 -55.06 25.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 54.24 110.821 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.529 HG23 HG12 ' A' ' 10' ' ' VAL . 48.8 t -58.28 -32.32 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.42 111.108 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -51.35 -38.86 55.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.965 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -70.81 -33.59 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.829 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.69 -58.38 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.485 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -61.8 -26.08 67.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 72.44 110.881 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -52.54 -30.4 30.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.884 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -80.14 -31.93 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.874 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.0 mt -74.51 -25.26 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 71.11 111.141 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.485 ' HE2' HD22 ' A' ' 18' ' ' LEU . 64.2 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 71.33 110.9 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 74.21 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -65.48 -25.22 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.94 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -51.97 -37.61 53.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 73.41 110.919 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -69.43 -32.13 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 65.14 110.879 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.1 t80 -68.03 -40.53 82.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.824 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -52.04 -53.51 41.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 74.3 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -57.13 -26.9 61.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -37.58 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 75.52 110.889 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 6' ' ' PHE . 15.9 t -63.95 -28.28 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 70.3 111.133 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -59.6 -31.26 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.863 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -49.05 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 63.44 110.986 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -63.82 -55.06 25.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 54.44 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.526 ' CG2' HG12 ' A' ' 10' ' ' VAL . 49.0 t -58.28 -32.15 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 74.44 111.181 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -51.53 -48.49 62.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.934 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -63.96 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 61.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -61.68 -58.39 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.881 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.475 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.5 mt -68.1 -25.73 65.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 61.43 110.891 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -51.95 -33.31 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 73.54 110.83 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -77.32 -32.33 55.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.15 110.873 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.5 mt -73.53 -25.16 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 72.44 111.161 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' HE2' HD22 ' A' ' 18' ' ' LEU . 65.2 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 62.13 110.811 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.847 0.356 . . . . 73.02 110.873 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -63.0 -25.2 68.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.12 110.939 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.88 -38.21 55.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 62.21 110.903 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -67.88 -32.2 72.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.875 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.735 ' O ' HG23 ' A' ' 10' ' ' VAL . 18.1 t80 -69.11 -39.31 79.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 63.21 110.872 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.09 -50.71 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.855 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -60.73 -26.89 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 71.51 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -28.72 36.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 71.34 110.92 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.763 HG12 HG23 ' A' ' 14' ' ' VAL . 18.3 t -72.56 -32.0 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.133 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -51.64 -31.12 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 63.15 110.856 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -69.91 -50.41 42.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 75.11 110.876 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -68.77 -55.05 12.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.831 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.763 HG23 HG12 ' A' ' 10' ' ' VAL . 48.9 t -54.2 -32.13 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 73.31 111.147 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -39.67 57.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.947 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -66.67 -33.71 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 62.15 110.89 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -63.21 -41.28 99.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.796 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.492 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -59.37 -26.13 64.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 64.54 110.845 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -52.23 -30.06 25.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 73.41 110.927 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -79.27 -33.88 43.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.873 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.8 mt -72.3 -28.54 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 63.42 111.158 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.492 ' HE2' HD22 ' A' ' 18' ' ' LEU . 69.7 m-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.52 110.866 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 63.22 110.82 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -62.79 -25.02 68.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.85 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -51.82 -38.45 55.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -67.82 -32.12 72.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 51.45 110.911 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 10' ' ' VAL . 25.0 t80 -69.48 -38.52 77.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 74.54 110.934 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -51.64 -54.76 24.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.41 110.859 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -56.34 -26.88 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 52.21 110.882 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.22 -35.81 41.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.887 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.8 t -66.19 -32.38 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 52.53 111.121 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -31.43 72.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 65.21 110.924 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.48 -51.46 17.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 64.33 110.83 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.5 m -67.27 -54.89 16.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.858 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.9 t -54.16 -33.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.1 111.125 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -51.37 -43.96 61.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 73.12 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -67.75 -28.67 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 74.11 110.873 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -48.72 79.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.852 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.498 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.9 mt -60.98 -26.02 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.03 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -52.12 -30.04 24.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 63.4 110.861 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -78.98 -34.43 44.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 72.52 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.8 mt -72.13 -26.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 72.42 111.144 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' HE2' HD22 ' A' ' 18' ' ' LEU . 69.9 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.862 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.851 0.358 . . . . 75.42 110.918 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -63.21 -25.28 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.815 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -37.64 53.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 51.11 110.836 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -32.23 71.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 73.13 110.816 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.8 t80 -68.49 -40.03 81.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 70.1 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -51.66 -51.31 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.905 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -59.56 -26.89 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.841 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -35.62 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 65.43 110.885 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 6' ' ' PHE . 11.9 t -67.03 -30.55 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 63.14 111.095 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -64.18 -31.34 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.929 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -74.89 -50.34 17.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 73.11 110.893 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.9 m -66.83 -54.96 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.51 110.834 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.511 ' CG2' HG12 ' A' ' 10' ' ' VAL . 52.8 t -55.42 -32.47 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.493 . . . . 50.11 111.086 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -51.41 -43.16 61.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 75.04 110.821 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -62.04 -34.44 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.2 110.892 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -65.98 -58.21 6.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 73.55 110.937 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.521 HD22 ' HE2' ' A' ' 22' ' ' PHE . 3.0 mt -60.05 -26.04 65.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 61.14 110.979 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -52.31 -29.92 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 71.44 110.887 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -82.37 -31.89 29.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.859 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.03 -25.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 72.33 111.114 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.521 ' HE2' HD22 ' A' ' 18' ' ' LEU . 50.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 75.44 110.885 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.832 0.349 . . . . 73.14 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -70.08 -25.12 63.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.867 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -37.94 54.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.52 110.941 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -31.35 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.945 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.669 ' O ' HG23 ' A' ' 10' ' ' VAL . 32.5 t80 -68.14 -40.18 82.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.41 110.864 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -52.03 -49.81 62.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.901 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -26.87 67.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 63.31 110.936 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -36.82 39.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 64.54 110.859 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.5 t -63.65 -28.19 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 61.02 111.104 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -31.34 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.901 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.99 -49.14 14.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 70.33 110.851 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -54.99 26.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 72.44 110.895 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.536 HG23 HG12 ' A' ' 10' ' ' VAL . 48.7 t -58.39 -32.25 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 63.11 111.116 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.42 59.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.909 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -60.37 -35.9 76.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 73.23 110.841 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -65.34 -51.69 58.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.53 HD22 ' HE2' ' A' ' 22' ' ' PHE . 3.0 mt -64.17 -25.91 68.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.915 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -51.98 -30.06 23.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 71.43 110.856 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 -32.76 30.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 63.05 110.867 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.9 mt -75.25 -25.43 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.14 111.135 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.53 ' HE2' HD22 ' A' ' 18' ' ' LEU . 43.4 m-85 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 72.31 110.92 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.85 0.357 . . . . 71.52 110.825 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -64.75 -25.26 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.911 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -37.35 51.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 72.11 110.886 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -70.01 -32.25 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.964 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.676 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.8 t80 -67.56 -40.86 84.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.893 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -51.58 -46.54 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 65.42 110.916 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -64.17 -26.78 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 74.04 110.968 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.4 -34.3 41.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.876 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.6 t -66.11 -32.8 59.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 75.31 111.152 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -64.02 -31.33 72.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 70.32 110.913 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -73.53 -51.54 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.93 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 m -67.2 -54.88 17.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.864 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.512 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.3 t -54.22 -33.19 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 63.42 111.166 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -51.32 -40.54 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.891 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -65.86 -33.14 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.871 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -66.26 -55.84 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.888 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.455 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.3 mt -58.9 -25.95 63.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 72.32 110.924 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -52.13 -34.9 46.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.838 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -31.43 58.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 42.44 110.966 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.15 -26.03 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.137 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.455 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.0 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.844 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.844 0.354 . . . . 75.43 110.903 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -68.48 -25.24 64.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.881 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -51.94 -37.77 53.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.866 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -69.17 -32.19 71.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.872 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.3 t80 -68.16 -40.27 82.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.861 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -51.92 -54.87 24.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 70.41 110.908 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -26.91 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 72.24 110.887 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -37.9 36.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.88 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.0 t -64.28 -28.23 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 52.21 111.107 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -59.59 -31.3 69.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.903 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.05 -49.12 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 74.24 110.902 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -55.0 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 51.13 110.851 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.537 HG23 HG12 ' A' ' 10' ' ' VAL . 49.6 t -58.22 -32.28 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 53.53 111.142 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -36.4 43.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 52.54 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -71.81 -34.19 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 64.42 110.837 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -65.81 -51.8 56.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.913 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.497 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -56.35 -26.17 51.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 52.34 110.955 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -30.08 25.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.881 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -79.47 -33.47 42.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 63.53 110.941 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.7 mt -73.28 -25.37 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.14 111.206 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' HE2' HD22 ' A' ' 18' ' ' LEU . 68.2 m-85 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.944 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.82 0.343 . . . . 72.41 110.835 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -61.68 -25.42 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.81 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -51.98 -36.52 49.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.938 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -72.0 -31.89 66.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 63.41 110.903 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.655 ' O ' HG23 ' A' ' 10' ' ' VAL . 28.7 t80 -66.48 -42.3 87.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 74.4 110.875 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -51.61 -53.35 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.879 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -56.92 -26.85 60.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.922 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -36.77 37.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 52.11 110.919 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 6' ' ' PHE . 13.0 t -65.98 -32.08 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 71.15 111.174 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -64.18 -31.33 72.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 75.33 110.898 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -73.27 -51.27 18.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 64.34 110.836 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -67.61 -54.91 15.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 35.14 110.889 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.515 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.7 t -54.18 -32.94 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 74.41 111.135 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -51.38 -37.12 46.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 71.33 110.891 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -58.56 -42.01 86.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.86 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -61.19 -55.56 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.838 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.483 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.9 mt -63.82 -25.91 68.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 72.13 110.889 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -52.91 -30.49 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 71.45 110.887 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.75 -31.36 40.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 74.23 110.926 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.9 mt -75.08 -25.2 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 75.32 111.184 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.483 ' HE2' HD22 ' A' ' 18' ' ' LEU . 65.2 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.902 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.339 . . . . 74.21 110.844 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -67.84 -25.0 65.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.791 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -51.89 -38.63 56.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.04 110.92 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -67.92 -31.86 71.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.297 -0.41 . . . . 73.15 110.893 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.676 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.8 t80 -69.79 -38.05 76.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 71.03 110.875 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -51.84 -49.07 63.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 62.12 110.939 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -26.85 68.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 75.35 110.905 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.41 -35.15 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 74.32 110.867 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 6' ' ' PHE . 14.7 t -65.26 -28.27 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.32 111.152 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -61.67 -31.33 71.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.846 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -49.2 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 63.21 110.855 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -55.01 21.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 73.4 110.902 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.527 ' CG2' HG12 ' A' ' 10' ' ' VAL . 49.2 t -57.36 -32.25 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 45.02 111.157 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -42.04 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -65.81 -34.41 78.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 71.33 110.9 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -65.99 -54.95 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.486 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -56.14 -26.18 49.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 62.01 110.873 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -52.1 -31.76 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.891 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -32.98 52.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.887 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.35 -27.11 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.4 111.146 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.7 m-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 71.43 110.908 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.805 0.336 . . . . 64.14 110.836 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -72.67 -25.18 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.829 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -38.08 54.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.907 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -69.12 -31.97 71.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.34 110.865 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.683 ' O ' HG23 ' A' ' 10' ' ' VAL . 25.1 t80 -68.51 -39.84 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 74.31 110.894 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -51.98 -52.0 53.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.03 110.942 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -58.18 -26.91 63.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 63.13 110.904 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -36.61 35.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 43.41 110.891 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.0 t -63.99 -28.24 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.122 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -59.59 -31.26 69.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 72.05 110.86 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -78.01 -49.14 14.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 70.22 110.848 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 m -63.82 -55.02 26.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.859 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.533 HG23 HG12 ' A' ' 10' ' ' VAL . 48.9 t -58.3 -32.21 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 71.22 111.136 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -51.53 -35.73 41.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 73.04 110.88 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -77.86 -33.65 52.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 74.1 110.835 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -64.68 -43.71 92.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 75.32 110.883 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.497 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.7 mt -55.58 -26.05 41.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.88 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -51.88 -32.29 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.938 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -75.85 -33.82 60.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.968 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.97 -25.37 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.24 111.114 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' HE2' HD22 ' A' ' 18' ' ' LEU . 65.0 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.925 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.825 0.345 . . . . 74.51 110.828 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -68.89 -25.5 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.15 110.891 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -36.67 49.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.176 -0.465 . . . . 74.15 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -72.27 -31.82 66.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.884 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.669 ' O ' HG23 ' A' ' 10' ' ' VAL . 29.8 t80 -66.26 -42.74 88.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.877 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -52.05 -43.58 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.825 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -67.6 -27.01 66.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 72.52 110.86 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -36.04 44.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.234 -0.439 . . . . 71.03 110.918 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.3 t -63.73 -28.16 44.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 65.24 111.132 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -59.4 -31.21 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 74.54 110.85 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.96 -49.11 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 64.42 110.898 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -54.94 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 75.21 110.858 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.528 ' CG2' HG12 ' A' ' 10' ' ' VAL . 48.6 t -58.42 -32.19 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 71.13 111.095 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -43.59 62.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 65.05 110.849 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -70.69 -27.25 63.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 64.33 110.912 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -31.82 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 70.33 110.905 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.6 mt -66.69 -25.77 66.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 74.52 110.835 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -51.96 -30.15 23.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.878 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -34.56 47.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 70.4 110.938 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.6 mt -71.83 -27.71 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 51.14 111.128 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' HE2' HD22 ' A' ' 18' ' ' LEU . 72.1 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 71.11 110.905 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.837 0.351 . . . . 73.23 110.857 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -68.29 -22.48 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -48.25 63.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.909 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -25.89 64.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.951 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.622 ' O ' HG23 ' A' ' 10' ' ' VAL . 20.7 t80 -83.14 -26.46 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.851 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -50.44 -49.13 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.877 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -60.87 -32.83 72.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 72.04 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -69.82 -37.25 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 54.24 110.912 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.993 HG12 HG23 ' A' ' 14' ' ' VAL . 2.8 t -79.1 -28.02 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 72.5 111.124 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.86 -31.0 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.871 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -52.58 18.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 63.12 110.858 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -66.32 -54.8 20.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 74.13 110.922 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.993 HG23 HG12 ' A' ' 10' ' ' VAL . 58.8 t -53.78 -34.46 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 51.54 111.138 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -51.46 -42.79 61.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.4 110.923 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -61.33 -34.07 74.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 72.45 110.898 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -62.12 -42.69 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.893 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.486 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.0 OUTLIER -70.74 -25.08 62.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.912 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -51.78 -30.27 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 70.24 110.918 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -77.79 -34.91 52.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.923 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.1 mt -72.42 -25.06 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.33 111.085 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 18' ' ' LEU . 67.5 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 71.25 110.905 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.805 0.336 . . . . 74.15 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -63.13 -25.5 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.906 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -37.24 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 62.23 110.944 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -69.81 -32.46 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 71.42 110.927 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.657 ' O ' HG23 ' A' ' 10' ' ' VAL . 22.4 t80 -67.26 -41.44 85.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.12 110.885 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -51.84 -54.73 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.886 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -56.02 -26.8 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 71.31 110.911 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -37.9 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.879 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 6' ' ' PHE . 14.1 t -65.48 -28.33 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 75.44 111.112 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -60.54 -31.31 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.976 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -78.08 -49.24 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.34 110.9 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.9 t -63.96 -54.95 26.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 63.01 110.82 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.52 ' CG2' HG12 ' A' ' 10' ' ' VAL . 49.4 t -58.21 -32.25 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 65.31 111.068 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -51.4 -46.76 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 70.35 110.894 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -67.1 -28.06 67.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 51.22 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -32.89 65.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.812 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.47 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.0 mt -60.37 -26.2 66.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 64.41 110.969 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -31.22 27.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.927 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -78.2 -33.66 49.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 72.43 110.914 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.88 -25.75 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 73.24 111.133 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.47 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.6 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.895 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.88 0.371 . . . . 74.4 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -56.62 -24.17 46.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 60.33 110.828 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -45.55 63.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 74.43 110.922 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -63.68 -27.64 69.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 64.11 110.937 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 10' ' ' VAL . 21.4 t80 -79.85 -26.73 40.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.901 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -50.81 -47.28 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.857 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -62.8 -30.9 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.883 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -71.91 -36.68 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.92 HG12 HG23 ' A' ' 14' ' ' VAL . 2.7 t -79.33 -28.07 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 64.54 111.105 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -51.16 -30.83 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.9 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -51.64 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.908 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -55.34 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.92 HG23 HG12 ' A' ' 10' ' ' VAL . 53.2 t -57.05 -34.86 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 64.43 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -51.79 -47.2 64.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.933 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -63.08 -35.8 81.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 70.23 110.897 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -57.3 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.782 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.503 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.3 mt -72.79 -24.72 60.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 73.34 110.884 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -52.44 -29.62 25.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 70.1 110.911 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -79.92 -32.82 40.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 62.52 110.895 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.3 mt -74.06 -25.11 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 63.21 111.152 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.503 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.6 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.907 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.759 0.314 . . . . 52.43 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -96.46 -27.44 14.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.821 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -68.84 -25.1 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 75.15 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -38.25 55.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.895 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -68.47 -31.99 71.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.894 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.8 t80 -69.05 -39.13 79.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.11 110.858 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -52.01 -54.76 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.3 110.864 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -56.28 -26.92 53.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 70.34 110.901 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.01 -37.69 38.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.933 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 6' ' ' PHE . 15.9 t -64.28 -28.18 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 71.32 111.141 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -59.72 -31.18 69.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 70.43 110.926 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -49.12 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 73.32 110.86 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -63.85 -55.04 25.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 62.34 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.534 HG23 HG12 ' A' ' 10' ' ' VAL . 49.2 t -58.23 -32.25 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 71.02 111.15 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -51.49 -32.87 29.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.836 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -77.71 -34.44 52.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 63.23 110.915 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -40.24 96.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.893 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.466 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -58.23 -26.16 62.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 64.42 110.906 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -52.33 -32.95 40.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 62.41 110.886 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.7 -31.62 52.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.89 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.2 mt -74.06 -26.35 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.41 111.129 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.466 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.8 m-85 -99.3 38.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.835 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.95 21.52 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.898 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -80.62 160.6 66.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.544 0.688 . . . . 43.02 110.89 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.55 37.07 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.662 2.242 . . . . 73.44 112.333 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 ttm -71.33 -40.96 70.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.868 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.16 149.49 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 65.43 111.105 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.5 mm -119.96 145.28 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.4 111.124 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.17 43.33 5.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 61.15 112.455 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 m -144.37 117.45 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 42.12 111.105 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.2 p -106.56 143.34 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 72.33 111.134 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -62.92 132.0 94.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.572 0.701 . . . . 73.21 111.164 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 101.63 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 70.11 112.388 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 75.12 110.909 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.755 0.312 . . . . 65.01 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -77.31 -37.46 52.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 73.21 110.886 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -63.95 -25.25 68.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 63.33 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -37.68 52.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 71.41 110.966 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -68.71 -32.37 72.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 52.51 110.91 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.679 ' O ' HG23 ' A' ' 10' ' ' VAL . 23.4 t80 -68.51 -39.82 81.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 60.02 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -51.63 -54.98 22.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 72.02 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -55.1 -26.86 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 62.52 110.932 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -36.04 35.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.913 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.8 t -66.08 -32.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 73.34 111.139 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -64.21 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 75.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -51.45 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 64.31 110.919 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -67.32 -55.0 15.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 65.31 110.848 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.516 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.5 t -54.04 -33.26 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 70.03 111.136 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -51.29 -45.33 62.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.889 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -59.88 -30.76 69.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 55.42 110.927 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -70.53 -57.69 4.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 75.5 110.875 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.474 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.0 mt -62.07 -26.24 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.938 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -52.06 -29.92 23.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.918 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -80.11 -33.76 38.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 72.15 110.955 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.6 mt -72.6 -26.59 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 73.34 111.179 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.474 ' HE2' HD22 ' A' ' 18' ' ' LEU . 61.3 m-85 -97.31 39.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 70.01 110.891 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -30.18 52.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 45.24 110.941 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -70.35 160.62 80.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.513 0.673 . . . . 73.42 110.934 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 107.26 1.81 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.668 2.245 . . . . 75.1 112.38 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 10.1 mtp -67.16 -70.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 70.35 110.88 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -171.91 145.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 72.25 111.151 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.9 mm -116.65 147.17 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 65.24 111.107 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.14 -20.17 24.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 74.34 112.441 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 m -145.46 124.99 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 61.34 111.167 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.2 p -125.12 145.24 50.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 62.31 111.176 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -53.87 131.46 57.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 73.14 111.128 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -48.33 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.229 . . . . 65.44 112.285 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.885 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.771 0.32 . . . . 74.01 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.85 -26.69 25.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 73.13 110.84 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -70.75 -25.32 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.87 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -36.79 51.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 64.54 110.825 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -71.25 -31.88 68.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 73.43 110.844 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.9 t80 -67.08 -41.61 86.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 72.31 110.893 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -51.76 -46.44 64.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 72.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -64.16 -26.82 68.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.857 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -35.05 44.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.877 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 6' ' ' PHE . 11.9 t -66.85 -31.58 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 73.13 111.097 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -31.34 72.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 61.11 110.93 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -50.8 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.972 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -66.99 -54.96 16.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 51.34 110.777 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG2' HG12 ' A' ' 10' ' ' VAL . 54.2 t -54.88 -32.92 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 62.44 111.108 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -51.41 -39.85 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.927 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -70.17 -32.52 70.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.925 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -61.73 -56.44 19.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 60.31 110.858 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.502 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.8 mt -62.7 -26.0 68.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.975 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -51.95 -31.3 28.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 62.41 110.922 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -32.56 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.4 110.911 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.8 mt -74.37 -25.29 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 51.55 111.114 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.502 ' HE2' HD22 ' A' ' 18' ' ' LEU . 55.9 m-85 -99.05 29.34 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.896 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.68 -35.15 24.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.33 110.942 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -63.74 160.65 43.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 54.4 110.945 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -16.91 37.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.713 2.275 . . . . 72.15 112.331 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -27.51 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.895 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.34 147.69 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 64.42 111.132 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.0 mm -105.13 144.87 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 63.22 111.154 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.28 30.15 3.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 52.15 112.453 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 m -147.98 125.12 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 72.34 111.134 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -146.46 144.54 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 74.34 111.169 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp -68.3 131.58 91.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.651 0.739 . . . . 71.44 111.049 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -48.33 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 61.53 112.346 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.897 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.1 tttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.739 0.304 . . . . 75.33 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.53 -40.77 8.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.868 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -62.34 -25.1 67.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 44.13 110.921 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.91 -38.71 57.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.841 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -67.45 -31.93 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 75.4 110.945 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.673 ' O ' HG23 ' A' ' 10' ' ' VAL . 23.0 t80 -69.9 -38.39 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 74.15 110.87 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -51.95 -54.9 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.892 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -26.83 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.862 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -35.08 36.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 64.34 110.915 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.0 t -67.22 -28.21 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 54.15 111.111 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.49 -31.26 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.921 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -78.02 -49.11 14.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 61.11 110.86 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -63.89 -54.99 26.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 44.23 110.854 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.537 HG23 HG12 ' A' ' 10' ' ' VAL . 48.9 t -58.36 -32.15 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 63.23 111.111 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -34.45 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 72.35 110.903 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -65.09 -38.75 91.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.911 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -62.54 -52.96 61.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.15 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.512 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.8 mt -64.82 -26.03 68.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.01 110.968 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -52.05 -30.0 23.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.22 110.859 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -81.66 -32.93 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 72.02 110.897 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.4 mt -74.04 -25.6 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 63.4 111.164 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' HE2' HD22 ' A' ' 18' ' ' LEU . 52.8 m-85 -98.0 31.09 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.781 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.77 -32.38 13.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 72.54 110.883 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -133.12 160.64 67.87 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 74.34 110.898 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 115.62 4.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.789 2.326 . . . . 63.41 112.279 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.8 -58.51 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.23 110.898 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -61.15 152.5 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 75.31 111.068 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.2 mm -111.89 143.5 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 74.34 111.101 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.36 29.69 5.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 65.54 112.502 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.7 m -148.67 126.99 3.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.92 0.391 . . . . 74.05 111.166 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 79.4 p -105.72 144.51 32.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 62.02 111.128 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -68.65 131.51 91.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 73.15 111.093 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 99.48 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 2.256 . . . . 52.12 112.279 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.794 0.331 . . . . 63.31 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -96.79 -31.83 12.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 74.12 110.91 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -68.69 -24.59 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 64.15 110.862 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -39.18 58.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 72.34 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -66.91 -31.87 72.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 55.33 110.914 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.733 ' O ' HG23 ' A' ' 10' ' ' VAL . 28.1 t80 -70.76 -36.58 73.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.9 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -51.73 -42.05 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.41 110.845 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -72.23 -26.81 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 64.25 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -31.31 55.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.9 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.3 t -66.36 -31.86 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.05 111.135 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -64.12 -31.28 72.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -73.66 -51.68 15.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 71.31 110.906 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -67.0 -54.84 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.921 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.546 ' CG2' HG12 ' A' ' 10' ' ' VAL . 54.6 t -54.17 -33.46 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 61.31 111.12 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -51.41 -40.28 58.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 75.23 110.875 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -71.2 -30.84 66.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.35 110.849 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -65.51 -58.04 6.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 73.05 110.874 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.449 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.3 mt -56.55 -26.44 54.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.841 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -29.79 25.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.848 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -80.2 -33.47 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.869 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.4 mt -72.7 -25.65 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 72.2 111.17 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' HE2' HD22 ' A' ' 18' ' ' LEU . 63.7 m-85 -98.87 40.09 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 71.32 110.892 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -95.93 21.47 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.854 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.48 160.63 27.6 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.545 0.688 . . . . 62.33 110.894 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.69 99.14 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.706 2.271 . . . . 73.5 112.342 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.06 -56.62 2.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 70.55 110.87 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.99 140.11 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.22 111.124 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.9 mm -119.96 135.4 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 73.13 111.126 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.14 29.24 4.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.48 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 m -146.39 125.61 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 63.13 111.101 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.0 p -84.47 144.61 28.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 63.1 111.116 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -63.14 131.49 94.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.72 . . . . 73.45 111.085 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 81.84 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.652 2.235 . . . . 73.3 112.348 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.768 0.318 . . . . 64.32 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -95.58 16.08 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.889 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -58.88 -24.91 62.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.91 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -38.89 58.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 74.4 110.908 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.874 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.683 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.9 t80 -70.06 -37.92 75.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.418 . . . . 72.34 110.904 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.05 -53.88 36.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 71.32 110.899 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -56.8 -26.93 59.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.84 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -36.32 38.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 73.51 110.921 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.1 t -65.15 -28.2 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 53.42 111.086 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -31.3 69.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.937 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -78.0 -49.07 14.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 72.04 110.911 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 t -63.84 -55.06 25.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 54.24 110.821 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.529 HG23 HG12 ' A' ' 10' ' ' VAL . 48.8 t -58.28 -32.32 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.42 111.108 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -51.35 -38.86 55.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.965 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -70.81 -33.59 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.829 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.69 -58.38 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.485 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -61.8 -26.08 67.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 72.44 110.881 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -52.54 -30.4 30.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.884 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -80.14 -31.93 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.874 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.0 mt -74.51 -25.26 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 71.11 111.141 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.485 ' HE2' HD22 ' A' ' 18' ' ' LEU . 64.2 m-85 -100.13 31.01 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 71.33 110.9 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 21.46 8.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 63.03 110.928 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.673 ' O ' HG12 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -102.79 160.69 25.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.576 0.703 . . . . 70.32 110.913 179.831 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -17.92 37.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 63.14 112.445 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.6 mtt -54.73 -37.17 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.52 110.854 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 24' ' ' LYS . 13.6 p -58.12 137.45 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.21 111.114 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mm -100.44 139.48 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.24 111.094 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.19 39.92 2.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 70.5 112.474 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.6 m -140.05 122.19 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.934 0.397 . . . . 60.25 111.135 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.8 p -142.25 145.66 34.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 63.55 111.137 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 tt -60.54 132.11 90.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 75.52 111.094 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 90.3 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 72.01 112.332 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 63.32 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.4 tptm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.86 0.362 . . . . 75.33 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -93.19 16.12 13.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.821 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -65.48 -25.22 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.94 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -51.97 -37.61 53.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 73.41 110.919 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -69.43 -32.13 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 65.14 110.879 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.1 t80 -68.03 -40.53 82.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.824 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -52.04 -53.51 41.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 74.3 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -57.13 -26.9 61.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -37.58 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 75.52 110.889 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 6' ' ' PHE . 15.9 t -63.95 -28.28 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 70.3 111.133 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -59.6 -31.26 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.863 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -49.05 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 63.44 110.986 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -63.82 -55.06 25.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 54.44 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.526 ' CG2' HG12 ' A' ' 10' ' ' VAL . 49.0 t -58.28 -32.15 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 74.44 111.181 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -51.53 -48.49 62.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.934 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -63.96 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 61.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -61.68 -58.39 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.881 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.475 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.5 mt -68.1 -25.73 65.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 61.43 110.891 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -51.95 -33.31 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 73.54 110.83 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -77.32 -32.33 55.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.15 110.873 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.5 mt -73.53 -25.16 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 72.44 111.161 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' HE2' HD22 ' A' ' 18' ' ' LEU . 65.2 m-85 -101.42 26.53 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 62.13 110.811 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -26.14 18.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.913 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -59.67 160.72 13.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 63.25 110.88 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -16.8 37.5 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 74.54 112.356 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -66.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 71.13 110.873 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -63.5 132.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 61.31 111.162 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.1 mt -126.69 138.42 54.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 72.01 111.187 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.42 51.43 3.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 74.12 112.529 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.4 m -128.31 113.31 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.422 . . . . 62.11 111.097 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -134.43 145.15 48.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 73.44 111.162 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -63.28 131.51 94.8 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.621 0.724 . . . . 61.11 111.139 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 64.33 112.334 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.921 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.819 0.342 . . . . 75.55 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.42 -27.05 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 73.02 110.873 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -63.0 -25.2 68.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.12 110.939 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.88 -38.21 55.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 62.21 110.903 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -67.88 -32.2 72.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.875 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.735 ' O ' HG23 ' A' ' 10' ' ' VAL . 18.1 t80 -69.11 -39.31 79.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 63.21 110.872 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.09 -50.71 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.855 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -60.73 -26.89 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 71.51 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -28.72 36.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 71.34 110.92 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.763 HG12 HG23 ' A' ' 14' ' ' VAL . 18.3 t -72.56 -32.0 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.133 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -51.64 -31.12 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 63.15 110.856 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -69.91 -50.41 42.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 75.11 110.876 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -68.77 -55.05 12.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.831 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.763 HG23 HG12 ' A' ' 10' ' ' VAL . 48.9 t -54.2 -32.13 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 73.31 111.147 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -39.67 57.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.947 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -66.67 -33.71 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 62.15 110.89 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -63.21 -41.28 99.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.796 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.492 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -59.37 -26.13 64.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 64.54 110.845 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -52.23 -30.06 25.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 73.41 110.927 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -79.27 -33.88 43.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.873 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.8 mt -72.3 -28.54 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 63.42 111.158 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.492 ' HE2' HD22 ' A' ' 18' ' ' LEU . 69.7 m-85 -96.72 29.72 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.52 110.866 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -79.9 -36.73 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 71.52 110.936 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -54.99 160.68 2.84 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.574 0.702 . . . . 72.5 110.866 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -21.62 33.17 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.658 2.239 . . . . 73.12 112.306 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.53 64.91 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 63.51 110.842 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.09 144.62 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 71.31 111.124 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.85 142.83 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 63.55 111.108 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.76 32.66 5.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.678 -0.772 . . . . 73.13 112.45 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.5 m -142.38 118.98 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 60.34 111.145 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.6 p -91.65 142.76 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 63.3 111.157 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -56.76 131.48 78.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 75.41 111.141 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 95.87 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 65.4 112.344 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 74.2 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.746 0.307 . . . . 75.3 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -101.75 -41.82 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 63.22 110.82 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -62.79 -25.02 68.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.85 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -51.82 -38.45 55.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -67.82 -32.12 72.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 51.45 110.911 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 10' ' ' VAL . 25.0 t80 -69.48 -38.52 77.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 74.54 110.934 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -51.64 -54.76 24.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.41 110.859 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -56.34 -26.88 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 52.21 110.882 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.22 -35.81 41.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.887 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.8 t -66.19 -32.38 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 52.53 111.121 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -31.43 72.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 65.21 110.924 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.48 -51.46 17.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 64.33 110.83 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.5 m -67.27 -54.89 16.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.858 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.9 t -54.16 -33.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.1 111.125 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -51.37 -43.96 61.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 73.12 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -67.75 -28.67 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 74.11 110.873 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -48.72 79.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.852 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.498 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.9 mt -60.98 -26.02 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.03 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -52.12 -30.04 24.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 63.4 110.861 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -78.98 -34.43 44.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 72.52 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.8 mt -72.13 -26.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 72.42 111.144 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' HE2' HD22 ' A' ' 18' ' ' LEU . 69.9 m-85 -100.04 35.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.862 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -86.84 -30.4 21.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 60.42 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -67.13 160.7 69.24 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.628 0.728 . . . . 75.33 110.84 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 108.97 2.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 74.02 112.316 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.0 mmt -71.85 -73.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.937 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -175.64 136.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 54.24 111.138 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 mp -116.47 138.42 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 64.33 111.187 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.13 50.88 1.54 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.69 -0.767 . . . . 63.32 112.448 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -148.52 125.73 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 51.25 111.087 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 p -148.87 144.96 27.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 34.14 111.158 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.613 HD11 ' CD2' ' A' ' 34' ' ' PHE . 3.4 tp -53.83 131.39 57.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 63.1 111.143 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -38.34 7.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 75.43 112.365 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.613 ' CD2' HD11 ' A' ' 32' ' ' ILE . 20.9 m-85 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 73.1 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.778 0.323 . . . . 71.21 110.917 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -35.23 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.918 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -63.21 -25.28 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.815 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -37.64 53.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 51.11 110.836 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -32.23 71.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 73.13 110.816 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.8 t80 -68.49 -40.03 81.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 70.1 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -51.66 -51.31 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.905 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -59.56 -26.89 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.841 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -35.62 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 65.43 110.885 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 6' ' ' PHE . 11.9 t -67.03 -30.55 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 63.14 111.095 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -64.18 -31.34 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.929 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -74.89 -50.34 17.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 73.11 110.893 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.9 m -66.83 -54.96 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.51 110.834 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.511 ' CG2' HG12 ' A' ' 10' ' ' VAL . 52.8 t -55.42 -32.47 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.493 . . . . 50.11 111.086 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -51.41 -43.16 61.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 75.04 110.821 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -62.04 -34.44 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.2 110.892 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -65.98 -58.21 6.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 73.55 110.937 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.521 HD22 ' HE2' ' A' ' 22' ' ' PHE . 3.0 mt -60.05 -26.04 65.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 61.14 110.979 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -52.31 -29.92 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 71.44 110.887 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -82.37 -31.89 29.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.859 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.03 -25.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 72.33 111.114 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.521 ' HE2' HD22 ' A' ' 18' ' ' LEU . 50.0 m-85 -97.05 38.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 75.44 110.885 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.74 21.47 8.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 71.44 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.683 ' O ' HG12 ' A' ' 27' ' ' VAL . 20.9 mtpt -103.1 160.71 25.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.541 0.686 . . . . 74.42 110.863 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -17.02 37.68 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.252 . . . . 75.13 112.372 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -48.33 69.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 71.31 110.88 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 24' ' ' LYS . 7.5 p -55.12 137.64 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 65.24 111.112 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.3 mt -118.59 142.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 41.54 111.148 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.21 46.58 0.99 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 64.25 112.498 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.1 m -149.17 126.36 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 73.03 111.141 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.4 p -106.36 143.08 35.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 73.54 111.17 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.613 HD11 ' CD2' ' A' ' 34' ' ' PHE . 3.4 tp -61.54 131.41 92.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 73.33 111.1 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.42 7.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.73 2.287 . . . . 75.41 112.312 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.613 ' CD2' HD11 ' A' ' 32' ' ' ILE . 21.0 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 70.13 110.852 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.804 0.335 . . . . 72.45 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.29 -28.0 17.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 73.14 110.846 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -70.08 -25.12 63.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.867 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -37.94 54.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.52 110.941 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -31.35 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.945 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.669 ' O ' HG23 ' A' ' 10' ' ' VAL . 32.5 t80 -68.14 -40.18 82.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.41 110.864 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -52.03 -49.81 62.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.901 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -26.87 67.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 63.31 110.936 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -36.82 39.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 64.54 110.859 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.5 t -63.65 -28.19 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 61.02 111.104 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -31.34 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.901 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.99 -49.14 14.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 70.33 110.851 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -54.99 26.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 72.44 110.895 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.536 HG23 HG12 ' A' ' 10' ' ' VAL . 48.7 t -58.39 -32.25 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 63.11 111.116 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.42 59.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.909 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -60.37 -35.9 76.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 73.23 110.841 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -65.34 -51.69 58.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.53 HD22 ' HE2' ' A' ' 22' ' ' PHE . 3.0 mt -64.17 -25.91 68.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.915 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -51.98 -30.06 23.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 71.43 110.856 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 -32.76 30.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 63.05 110.867 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.9 mt -75.25 -25.43 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.14 111.135 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.53 ' HE2' HD22 ' A' ' 18' ' ' LEU . 43.4 m-85 -96.02 26.73 3.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 72.31 110.92 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.21 -29.85 13.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 73.31 110.838 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -69.75 160.67 78.96 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.565 0.697 . . . . 74.23 110.913 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -18.4 36.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.706 2.271 . . . . 74.13 112.336 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -64.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 71.41 110.907 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.3 m -54.03 150.51 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 73.21 111.072 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.7 143.0 41.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 73.13 111.097 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.53 30.16 3.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.809 -0.71 . . . . 64.2 112.509 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 30' ' ' VAL . 6.5 m -146.41 109.63 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.915 0.388 . . . . 63.1 111.121 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.5 p -130.23 145.67 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 64.53 111.116 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 tt -67.55 132.26 92.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 72.02 111.121 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -36.79 10.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 73.11 112.371 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.14 110.855 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 mttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.795 0.331 . . . . 74.12 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -101.64 -32.36 10.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 71.52 110.825 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -64.75 -25.26 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.911 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -37.35 51.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 72.11 110.886 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -70.01 -32.25 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.964 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.676 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.8 t80 -67.56 -40.86 84.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.893 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -51.58 -46.54 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 65.42 110.916 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -64.17 -26.78 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 74.04 110.968 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.4 -34.3 41.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.876 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.6 t -66.11 -32.8 59.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 75.31 111.152 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -64.02 -31.33 72.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 70.32 110.913 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -73.53 -51.54 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.93 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 m -67.2 -54.88 17.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.864 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.512 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.3 t -54.22 -33.19 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 63.42 111.166 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -51.32 -40.54 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.891 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -65.86 -33.14 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.871 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -66.26 -55.84 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.888 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.455 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.3 mt -58.9 -25.95 63.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 72.32 110.924 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -52.13 -34.9 46.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.838 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -31.43 58.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 42.44 110.966 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.15 -26.03 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.137 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.455 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.0 m-85 -100.54 37.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.844 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -35.47 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.9 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 155.06 3.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.493 0.663 . . . . 74.15 110.951 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 94.96 0.53 Allowed 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.774 2.316 . . . . 75.12 112.323 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -74.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 73.15 110.803 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.89 145.51 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 54.24 111.169 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.7 mt -126.26 132.76 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 64.22 111.113 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.78 26.26 8.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.823 -0.703 . . . . 64.34 112.505 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 m -148.37 122.7 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 75.14 111.084 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.1 p -112.42 144.5 41.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 63.42 111.103 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp -66.52 131.46 94.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.715 . . . . 75.25 111.22 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -48.36 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.723 2.282 . . . . 74.14 112.311 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.905 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.4 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 74.1 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -30.75 33.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.903 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -68.48 -25.24 64.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.881 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -51.94 -37.77 53.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.866 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -69.17 -32.19 71.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.872 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.3 t80 -68.16 -40.27 82.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.861 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -51.92 -54.87 24.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 70.41 110.908 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -26.91 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 72.24 110.887 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -37.9 36.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.88 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.0 t -64.28 -28.23 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 52.21 111.107 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -59.59 -31.3 69.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.903 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.05 -49.12 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 74.24 110.902 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -55.0 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 51.13 110.851 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.537 HG23 HG12 ' A' ' 10' ' ' VAL . 49.6 t -58.22 -32.28 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 53.53 111.142 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -36.4 43.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 52.54 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -71.81 -34.19 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 64.42 110.837 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -65.81 -51.8 56.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.913 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.497 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -56.35 -26.17 51.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 52.34 110.955 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -30.08 25.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.881 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -79.47 -33.47 42.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 63.53 110.941 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.7 mt -73.28 -25.37 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.14 111.206 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' HE2' HD22 ' A' ' 18' ' ' LEU . 68.2 m-85 -100.04 40.11 1.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.944 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -80.13 -26.41 39.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 73.21 110.916 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.81 160.62 49.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.53 0.681 . . . . 60.04 110.916 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 84.05 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 71.4 112.369 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -56.63 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 63.44 110.853 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.65 139.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 43.45 111.106 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.52 144.81 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.21 111.142 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.92 21.7 6.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 62.24 112.516 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.0 m -139.9 118.97 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.956 0.408 . . . . 71.31 111.121 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.8 p -58.44 142.77 47.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 62.24 111.153 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 tt -62.72 132.3 94.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 74.41 111.116 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -36.79 10.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 73.4 112.359 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 73.41 110.892 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.4 mttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.766 0.317 . . . . 74.12 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.68 -39.0 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.835 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -61.68 -25.42 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.81 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -51.98 -36.52 49.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.938 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -72.0 -31.89 66.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 63.41 110.903 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.655 ' O ' HG23 ' A' ' 10' ' ' VAL . 28.7 t80 -66.48 -42.3 87.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 74.4 110.875 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -51.61 -53.35 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.879 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -56.92 -26.85 60.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.922 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -36.77 37.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 52.11 110.919 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 6' ' ' PHE . 13.0 t -65.98 -32.08 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 71.15 111.174 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -64.18 -31.33 72.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 75.33 110.898 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -73.27 -51.27 18.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 64.34 110.836 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -67.61 -54.91 15.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 35.14 110.889 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.515 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.7 t -54.18 -32.94 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 74.41 111.135 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -51.38 -37.12 46.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 71.33 110.891 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -58.56 -42.01 86.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.86 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -61.19 -55.56 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.838 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.483 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.9 mt -63.82 -25.91 68.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 72.13 110.889 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -52.91 -30.49 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 71.45 110.887 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.75 -31.36 40.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 74.23 110.926 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.9 mt -75.08 -25.2 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 75.32 111.184 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.483 ' HE2' HD22 ' A' ' 18' ' ' LEU . 65.2 m-85 -100.28 28.76 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.902 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.32 -35.8 11.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 74.42 110.891 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 155.06 3.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.606 0.717 . . . . 72.33 110.863 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 116.83 4.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 60.21 112.36 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -73.81 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 75.02 110.885 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.07 139.0 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.22 111.14 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.2 mm -122.61 138.81 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.31 111.087 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.76 51.36 3.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 61.11 112.491 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 m -133.0 115.72 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 71.04 111.136 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.4 p -134.82 145.6 48.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 72.23 111.158 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -57.55 131.52 81.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.653 0.74 . . . . 62.22 111.085 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 95.57 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.713 2.275 . . . . 73.22 112.311 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 63.53 110.891 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.715 0.293 . . . . 72.21 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.3 16.26 13.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.844 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -67.84 -25.0 65.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.791 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -51.89 -38.63 56.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.04 110.92 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -67.92 -31.86 71.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.297 -0.41 . . . . 73.15 110.893 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.676 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.8 t80 -69.79 -38.05 76.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 71.03 110.875 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -51.84 -49.07 63.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 62.12 110.939 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -26.85 68.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 75.35 110.905 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.41 -35.15 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 74.32 110.867 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 6' ' ' PHE . 14.7 t -65.26 -28.27 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.32 111.152 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -61.67 -31.33 71.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.846 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -49.2 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 63.21 110.855 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -55.01 21.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 73.4 110.902 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.527 ' CG2' HG12 ' A' ' 10' ' ' VAL . 49.2 t -57.36 -32.25 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 45.02 111.157 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -42.04 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -65.81 -34.41 78.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 71.33 110.9 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -65.99 -54.95 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.486 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -56.14 -26.18 49.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 62.01 110.873 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -52.1 -31.76 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.891 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -32.98 52.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.887 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.35 -27.11 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.4 111.146 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.7 m-85 -98.11 27.28 4.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 71.43 110.908 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -78.86 -34.5 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 64.51 110.902 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 155.08 3.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.584 0.707 . . . . 72.13 110.944 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 150.32 67.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.256 . . . . 64.22 112.337 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 10.9 ttm -75.94 -60.35 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 71.03 110.902 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.0 134.77 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.107 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.72 138.4 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.3 111.092 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.96 40.94 2.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 75.23 112.492 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 m -144.52 124.77 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 71.33 111.101 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.3 p -140.58 145.48 36.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -56.32 132.03 75.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 75.21 111.146 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 105.84 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.259 . . . . 70.53 112.321 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 74.51 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.831 0.348 . . . . 65.52 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -65.55 -35.17 80.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.836 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -72.67 -25.18 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.829 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -38.08 54.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.907 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -69.12 -31.97 71.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.34 110.865 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.683 ' O ' HG23 ' A' ' 10' ' ' VAL . 25.1 t80 -68.51 -39.84 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 74.31 110.894 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -51.98 -52.0 53.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.03 110.942 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -58.18 -26.91 63.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 63.13 110.904 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -36.61 35.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 43.41 110.891 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.0 t -63.99 -28.24 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.122 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -59.59 -31.26 69.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 72.05 110.86 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -78.01 -49.14 14.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 70.22 110.848 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 m -63.82 -55.02 26.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.859 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG23 HG12 ' A' ' 10' ' ' VAL . 48.9 t -58.3 -32.21 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 71.22 111.136 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -51.53 -35.73 41.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 73.04 110.88 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -77.86 -33.65 52.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 74.1 110.835 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -64.68 -43.71 92.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 75.32 110.883 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.497 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.7 mt -55.58 -26.05 41.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.88 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -51.88 -32.29 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.938 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -75.85 -33.82 60.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.968 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.97 -25.37 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.24 111.114 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' HE2' HD22 ' A' ' 18' ' ' LEU . 65.0 m-85 -99.63 40.03 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.925 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.28 21.49 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.907 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.19 160.65 81.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.524 0.678 . . . . 72.52 110.864 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 141.0 44.1 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.682 2.255 . . . . 75.11 112.307 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.8 mtt -74.09 -50.19 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.829 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.79 145.75 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 60.11 111.107 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.4 mt -97.38 133.13 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 73.4 111.09 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.28 46.41 1.57 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.761 -0.733 . . . . 63.54 112.523 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 m -144.95 125.05 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.937 0.399 . . . . 61.53 111.119 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.4 p -126.73 145.24 50.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 73.41 111.139 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 tt -56.18 131.43 74.96 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.608 0.718 . . . . 73.24 111.107 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -49.44 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 54.13 112.331 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 70.42 110.938 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.3 tttp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.778 0.323 . . . . 63.01 110.854 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -94.71 16.13 16.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 74.51 110.828 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -68.89 -25.5 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.15 110.891 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -36.67 49.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.176 -0.465 . . . . 74.15 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -72.27 -31.82 66.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.884 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.669 ' O ' HG23 ' A' ' 10' ' ' VAL . 29.8 t80 -66.26 -42.74 88.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.877 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -52.05 -43.58 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.825 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -67.6 -27.01 66.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 72.52 110.86 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -36.04 44.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.234 -0.439 . . . . 71.03 110.918 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.3 t -63.73 -28.16 44.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 65.24 111.132 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -59.4 -31.21 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 74.54 110.85 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.96 -49.11 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 64.42 110.898 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -54.94 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 75.21 110.858 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.528 ' CG2' HG12 ' A' ' 10' ' ' VAL . 48.6 t -58.42 -32.19 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 71.13 111.095 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -43.59 62.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 65.05 110.849 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -70.69 -27.25 63.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 64.33 110.912 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -31.82 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 70.33 110.905 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.6 mt -66.69 -25.77 66.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 74.52 110.835 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -51.96 -30.15 23.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.878 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -34.56 47.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 70.4 110.938 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.6 mt -71.83 -27.71 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 51.14 111.128 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.489 ' HE2' HD22 ' A' ' 18' ' ' LEU . 72.1 m-85 -98.97 35.9 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 71.11 110.905 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -79.93 -34.84 38.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 75.52 110.861 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 155.01 3.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.578 0.704 . . . . 71.31 110.845 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 106.07 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.224 . . . . 75.45 112.31 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -69.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 62.51 110.903 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.72 139.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 72.11 111.136 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.3 mt -125.59 143.76 38.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 75.23 111.205 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.83 50.86 3.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 72.22 112.473 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 m -147.44 125.08 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 63.44 111.156 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.6 p -144.68 143.08 30.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 71.33 111.215 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp -54.79 131.44 65.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.604 0.716 . . . . 64.41 111.152 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -48.9 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.729 2.286 . . . . 74.41 112.36 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.759 0.314 . . . . 72.01 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.12 -31.04 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.857 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -68.29 -22.48 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -48.25 63.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.909 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -25.89 64.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.951 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.622 ' O ' HG23 ' A' ' 10' ' ' VAL . 20.7 t80 -83.14 -26.46 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.851 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -50.44 -49.13 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.877 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -60.87 -32.83 72.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 72.04 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -69.82 -37.25 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 54.24 110.912 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.993 HG12 HG23 ' A' ' 14' ' ' VAL . 2.8 t -79.1 -28.02 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 72.5 111.124 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.86 -31.0 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.871 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -52.58 18.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 63.12 110.858 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -66.32 -54.8 20.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 74.13 110.922 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.993 HG23 HG12 ' A' ' 10' ' ' VAL . 58.8 t -53.78 -34.46 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 51.54 111.138 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -51.46 -42.79 61.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.4 110.923 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -61.33 -34.07 74.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 72.45 110.898 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -62.12 -42.69 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.893 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.486 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.0 OUTLIER -70.74 -25.08 62.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.912 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -51.78 -30.27 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 70.24 110.918 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -77.79 -34.91 52.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.923 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.1 mt -72.42 -25.06 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.33 111.085 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 18' ' ' LEU . 67.5 m-85 -100.7 40.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 71.25 110.905 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.18 -26.12 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 71.11 110.945 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -58.23 160.74 8.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 74.2 110.847 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 152.63 69.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.679 2.253 . . . . 73.11 112.377 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.11 91.15 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 64.34 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.59 141.67 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 60.4 111.156 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.5 mt -121.8 143.35 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 70.03 111.11 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.74 -19.74 23.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 74.43 112.433 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.79 124.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 71.42 111.109 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.7 p -71.49 143.69 49.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 70.01 111.079 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -59.94 132.04 89.39 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.635 0.731 . . . . 74.32 111.159 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 103.56 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 71.54 112.326 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.895 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.76 0.314 . . . . 74.01 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -95.55 16.13 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.915 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -63.13 -25.5 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.906 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -37.24 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 62.23 110.944 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -69.81 -32.46 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 71.42 110.927 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.657 ' O ' HG23 ' A' ' 10' ' ' VAL . 22.4 t80 -67.26 -41.44 85.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.12 110.885 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -51.84 -54.73 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.886 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -56.02 -26.8 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 71.31 110.911 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -37.9 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.879 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 6' ' ' PHE . 14.1 t -65.48 -28.33 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 75.44 111.112 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -60.54 -31.31 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.976 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -78.08 -49.24 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.34 110.9 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.9 t -63.96 -54.95 26.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 63.01 110.82 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.52 ' CG2' HG12 ' A' ' 10' ' ' VAL . 49.4 t -58.21 -32.25 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 65.31 111.068 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -51.4 -46.76 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 70.35 110.894 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -67.1 -28.06 67.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 51.22 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -32.89 65.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.812 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.47 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.0 mt -60.37 -26.2 66.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 64.41 110.969 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -31.22 27.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.927 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -78.2 -33.66 49.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 72.43 110.914 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.88 -25.75 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 73.24 111.133 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.47 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.6 m-85 -99.79 36.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.895 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -29.7 56.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 71.43 110.912 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -63.17 160.67 37.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 64.22 110.915 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 139.27 40.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 72.43 112.393 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.3 ttp -104.56 -47.25 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 43.23 110.896 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -173.08 142.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 53.05 111.088 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.3 mt -92.83 127.87 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 64.1 111.159 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.32 50.96 0.69 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.744 -0.741 . . . . 60.21 112.476 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.1 m -137.86 112.99 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 64.15 111.086 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.9 p -76.71 143.12 40.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 64.05 111.122 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.3 tt -63.01 130.25 93.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.659 0.743 . . . . 74.44 111.149 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -36.64 10.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 72.02 112.293 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 70.31 110.847 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.789 0.328 . . . . 74.53 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -108.92 16.44 22.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.948 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -56.62 -24.17 46.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 60.33 110.828 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -45.55 63.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 74.43 110.922 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -63.68 -27.64 69.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 64.11 110.937 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 10' ' ' VAL . 21.4 t80 -79.85 -26.73 40.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.901 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -50.81 -47.28 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.857 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -62.8 -30.9 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.883 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -71.91 -36.68 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.92 HG12 HG23 ' A' ' 14' ' ' VAL . 2.7 t -79.33 -28.07 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 64.54 111.105 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -51.16 -30.83 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.9 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -51.64 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.908 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -55.34 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.92 HG23 HG12 ' A' ' 10' ' ' VAL . 53.2 t -57.05 -34.86 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 64.43 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -51.79 -47.2 64.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.933 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -63.08 -35.8 81.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 70.23 110.897 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -57.3 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.782 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.503 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.3 mt -72.79 -24.72 60.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 73.34 110.884 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -52.44 -29.62 25.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 70.1 110.911 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -79.92 -32.82 40.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 62.52 110.895 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.3 mt -74.06 -25.11 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 63.21 111.152 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.503 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.6 m-85 -101.7 26.9 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.907 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.12 -29.4 15.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 72.52 110.888 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -59.63 160.71 13.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.716 . . . . 60.33 110.869 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 84.16 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.716 2.278 . . . . 62.4 112.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -71.42 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.93 145.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 64.23 111.189 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.5 mp -91.42 123.83 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.32 111.129 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.49 48.99 0.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 41.11 112.487 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 m -148.25 122.05 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 73.45 111.125 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.2 p -126.96 143.67 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 64.44 111.094 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -58.98 131.43 86.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 61.51 111.141 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 102.38 1.02 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 71.45 112.33 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 72.22 110.894 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.815 0.341 . . . . 73.44 110.821 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -68.84 -25.1 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 75.15 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -38.25 55.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.895 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -68.47 -31.99 71.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.894 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.8 t80 -69.05 -39.13 79.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.11 110.858 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -52.01 -54.76 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.3 110.864 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -56.28 -26.92 53.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 70.34 110.901 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.01 -37.69 38.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.933 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 6' ' ' PHE . 15.9 t -64.28 -28.18 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 71.32 111.141 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -59.72 -31.18 69.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 70.43 110.926 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -49.12 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 73.32 110.86 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -63.85 -55.04 25.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 62.34 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.534 HG23 HG12 ' A' ' 10' ' ' VAL . 49.2 t -58.23 -32.25 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 71.02 111.15 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -51.49 -32.87 29.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.836 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -77.71 -34.44 52.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 63.23 110.915 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -40.24 96.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.893 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.466 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -58.23 -26.16 62.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 64.42 110.906 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -52.33 -32.95 40.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 62.41 110.886 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.7 -31.62 52.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.89 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.2 mt -74.06 -26.35 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.41 111.129 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.466 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.8 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.835 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.842 0.353 . . . . 73.21 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -63.95 -25.25 68.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 63.33 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -37.68 52.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 71.41 110.966 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -68.71 -32.37 72.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 52.51 110.91 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.679 ' O ' HG23 ' A' ' 10' ' ' VAL . 23.4 t80 -68.51 -39.82 81.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 60.02 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -51.63 -54.98 22.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 72.02 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -55.1 -26.86 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 62.52 110.932 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -36.04 35.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.913 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.8 t -66.08 -32.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 73.34 111.139 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -64.21 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 75.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -51.45 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 64.31 110.919 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -67.32 -55.0 15.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 65.31 110.848 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.516 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.5 t -54.04 -33.26 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 70.03 111.136 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -51.29 -45.33 62.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.889 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -59.88 -30.76 69.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 55.42 110.927 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -70.53 -57.69 4.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 75.5 110.875 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.474 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.0 mt -62.07 -26.24 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.938 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -52.06 -29.92 23.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.918 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -80.11 -33.76 38.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 72.15 110.955 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.6 mt -72.6 -26.59 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 73.34 111.179 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.474 ' HE2' HD22 ' A' ' 18' ' ' LEU . 61.3 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 70.01 110.891 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 73.13 110.84 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -70.75 -25.32 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.87 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -36.79 51.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 64.54 110.825 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -71.25 -31.88 68.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 73.43 110.844 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.9 t80 -67.08 -41.61 86.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 72.31 110.893 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -51.76 -46.44 64.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 72.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -64.16 -26.82 68.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.857 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -35.05 44.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.877 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 6' ' ' PHE . 11.9 t -66.85 -31.58 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 73.13 111.097 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -31.34 72.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 61.11 110.93 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -50.8 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.972 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -66.99 -54.96 16.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 51.34 110.777 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG2' HG12 ' A' ' 10' ' ' VAL . 54.2 t -54.88 -32.92 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 62.44 111.108 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -51.41 -39.85 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.927 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -70.17 -32.52 70.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.925 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -61.73 -56.44 19.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 60.31 110.858 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.502 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.8 mt -62.7 -26.0 68.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.975 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -51.95 -31.3 28.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 62.41 110.922 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -32.56 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.4 110.911 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.8 mt -74.37 -25.29 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 51.55 111.114 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.502 ' HE2' HD22 ' A' ' 18' ' ' LEU . 55.9 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.896 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.819 0.342 . . . . 72.21 110.868 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -62.34 -25.1 67.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 44.13 110.921 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.91 -38.71 57.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.841 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -67.45 -31.93 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 75.4 110.945 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.673 ' O ' HG23 ' A' ' 10' ' ' VAL . 23.0 t80 -69.9 -38.39 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 74.15 110.87 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -51.95 -54.9 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.892 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -26.83 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.862 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -35.08 36.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 64.34 110.915 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.0 t -67.22 -28.21 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 54.15 111.111 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.49 -31.26 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.921 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -78.02 -49.11 14.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 61.11 110.86 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -63.89 -54.99 26.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 44.23 110.854 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.537 HG23 HG12 ' A' ' 10' ' ' VAL . 48.9 t -58.36 -32.15 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 63.23 111.111 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -34.45 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 72.35 110.903 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -65.09 -38.75 91.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.911 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -62.54 -52.96 61.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.15 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.512 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.8 mt -64.82 -26.03 68.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.01 110.968 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -52.05 -30.0 23.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.22 110.859 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -81.66 -32.93 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 72.02 110.897 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.4 mt -74.04 -25.6 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 63.4 111.164 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' HE2' HD22 ' A' ' 18' ' ' LEU . 52.8 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.781 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 74.12 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -68.69 -24.59 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 64.15 110.862 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -39.18 58.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 72.34 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -66.91 -31.87 72.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 55.33 110.914 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.733 ' O ' HG23 ' A' ' 10' ' ' VAL . 28.1 t80 -70.76 -36.58 73.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.9 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -51.73 -42.05 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.41 110.845 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -72.23 -26.81 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 64.25 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -31.31 55.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.9 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.3 t -66.36 -31.86 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.05 111.135 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -64.12 -31.28 72.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -73.66 -51.68 15.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 71.31 110.906 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -67.0 -54.84 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.921 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.546 ' CG2' HG12 ' A' ' 10' ' ' VAL . 54.6 t -54.17 -33.46 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 61.31 111.12 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -51.41 -40.28 58.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 75.23 110.875 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -71.2 -30.84 66.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.35 110.849 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -65.51 -58.04 6.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 73.05 110.874 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.449 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.3 mt -56.55 -26.44 54.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.841 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -29.79 25.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.848 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -80.2 -33.47 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.869 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.4 mt -72.7 -25.65 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 72.2 111.17 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' HE2' HD22 ' A' ' 18' ' ' LEU . 63.7 m-85 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 71.32 110.892 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.847 0.356 . . . . 73.04 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -58.88 -24.91 62.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.91 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -38.89 58.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 74.4 110.908 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.874 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.683 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.9 t80 -70.06 -37.92 75.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.418 . . . . 72.34 110.904 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.05 -53.88 36.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 71.32 110.899 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -56.8 -26.93 59.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.84 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -36.32 38.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 73.51 110.921 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.1 t -65.15 -28.2 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 53.42 111.086 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -31.3 69.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.937 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -78.0 -49.07 14.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 72.04 110.911 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 t -63.84 -55.06 25.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 54.24 110.821 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.529 HG23 HG12 ' A' ' 10' ' ' VAL . 48.8 t -58.28 -32.32 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.42 111.108 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -51.35 -38.86 55.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.965 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -70.81 -33.59 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.829 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.69 -58.38 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.485 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -61.8 -26.08 67.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 72.44 110.881 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -52.54 -30.4 30.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.884 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -80.14 -31.93 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.874 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.0 mt -74.51 -25.26 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 71.11 111.141 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.485 ' HE2' HD22 ' A' ' 18' ' ' LEU . 64.2 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 71.33 110.9 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 74.21 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -65.48 -25.22 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.94 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -51.97 -37.61 53.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 73.41 110.919 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -69.43 -32.13 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 65.14 110.879 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.1 t80 -68.03 -40.53 82.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.824 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -52.04 -53.51 41.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 74.3 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -57.13 -26.9 61.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -37.58 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 75.52 110.889 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 6' ' ' PHE . 15.9 t -63.95 -28.28 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 70.3 111.133 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -59.6 -31.26 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.863 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -49.05 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 63.44 110.986 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -63.82 -55.06 25.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 54.44 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.526 ' CG2' HG12 ' A' ' 10' ' ' VAL . 49.0 t -58.28 -32.15 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 74.44 111.181 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -51.53 -48.49 62.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.934 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -63.96 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 61.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -61.68 -58.39 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.881 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.475 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.5 mt -68.1 -25.73 65.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 61.43 110.891 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -51.95 -33.31 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 73.54 110.83 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -77.32 -32.33 55.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.15 110.873 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.5 mt -73.53 -25.16 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 72.44 111.161 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' HE2' HD22 ' A' ' 18' ' ' LEU . 65.2 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 62.13 110.811 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.847 0.356 . . . . 73.02 110.873 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -63.0 -25.2 68.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.12 110.939 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.88 -38.21 55.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 62.21 110.903 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -67.88 -32.2 72.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.875 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.735 ' O ' HG23 ' A' ' 10' ' ' VAL . 18.1 t80 -69.11 -39.31 79.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 63.21 110.872 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.09 -50.71 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.855 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -60.73 -26.89 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 71.51 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -28.72 36.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 71.34 110.92 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.763 HG12 HG23 ' A' ' 14' ' ' VAL . 18.3 t -72.56 -32.0 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.133 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -51.64 -31.12 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 63.15 110.856 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -69.91 -50.41 42.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 75.11 110.876 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -68.77 -55.05 12.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.831 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.763 HG23 HG12 ' A' ' 10' ' ' VAL . 48.9 t -54.2 -32.13 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 73.31 111.147 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -39.67 57.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.947 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -66.67 -33.71 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 62.15 110.89 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -63.21 -41.28 99.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.796 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.492 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -59.37 -26.13 64.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 64.54 110.845 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -52.23 -30.06 25.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 73.41 110.927 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -79.27 -33.88 43.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.873 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.8 mt -72.3 -28.54 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 63.42 111.158 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.492 ' HE2' HD22 ' A' ' 18' ' ' LEU . 69.7 m-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.52 110.866 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 63.22 110.82 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -62.79 -25.02 68.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.85 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -51.82 -38.45 55.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -67.82 -32.12 72.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 51.45 110.911 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 10' ' ' VAL . 25.0 t80 -69.48 -38.52 77.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 74.54 110.934 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -51.64 -54.76 24.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.41 110.859 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -56.34 -26.88 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 52.21 110.882 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.22 -35.81 41.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.887 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.8 t -66.19 -32.38 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 52.53 111.121 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -31.43 72.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 65.21 110.924 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.48 -51.46 17.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 64.33 110.83 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.5 m -67.27 -54.89 16.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.858 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.9 t -54.16 -33.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.1 111.125 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -51.37 -43.96 61.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 73.12 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -67.75 -28.67 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 74.11 110.873 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -48.72 79.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.852 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.498 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.9 mt -60.98 -26.02 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.03 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -52.12 -30.04 24.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 63.4 110.861 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -78.98 -34.43 44.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 72.52 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.8 mt -72.13 -26.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 72.42 111.144 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' HE2' HD22 ' A' ' 18' ' ' LEU . 69.9 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.862 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.851 0.358 . . . . 75.42 110.918 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -63.21 -25.28 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.815 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -37.64 53.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 51.11 110.836 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -32.23 71.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 73.13 110.816 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.8 t80 -68.49 -40.03 81.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 70.1 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -51.66 -51.31 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.905 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -59.56 -26.89 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.841 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -35.62 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 65.43 110.885 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 6' ' ' PHE . 11.9 t -67.03 -30.55 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 63.14 111.095 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -64.18 -31.34 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.929 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -74.89 -50.34 17.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 73.11 110.893 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.9 m -66.83 -54.96 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.51 110.834 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.511 ' CG2' HG12 ' A' ' 10' ' ' VAL . 52.8 t -55.42 -32.47 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.493 . . . . 50.11 111.086 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -51.41 -43.16 61.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 75.04 110.821 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -62.04 -34.44 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.2 110.892 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -65.98 -58.21 6.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 73.55 110.937 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.521 HD22 ' HE2' ' A' ' 22' ' ' PHE . 3.0 mt -60.05 -26.04 65.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 61.14 110.979 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -52.31 -29.92 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 71.44 110.887 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -82.37 -31.89 29.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.859 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.03 -25.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 72.33 111.114 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.521 ' HE2' HD22 ' A' ' 18' ' ' LEU . 50.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 75.44 110.885 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.832 0.349 . . . . 73.14 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -70.08 -25.12 63.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.867 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -37.94 54.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.52 110.941 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -31.35 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.945 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.669 ' O ' HG23 ' A' ' 10' ' ' VAL . 32.5 t80 -68.14 -40.18 82.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.41 110.864 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -52.03 -49.81 62.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.901 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -26.87 67.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 63.31 110.936 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -36.82 39.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 64.54 110.859 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.5 t -63.65 -28.19 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 61.02 111.104 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -31.34 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.901 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.99 -49.14 14.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 70.33 110.851 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -54.99 26.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 72.44 110.895 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.536 HG23 HG12 ' A' ' 10' ' ' VAL . 48.7 t -58.39 -32.25 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 63.11 111.116 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.42 59.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.909 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -60.37 -35.9 76.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 73.23 110.841 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -65.34 -51.69 58.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.53 HD22 ' HE2' ' A' ' 22' ' ' PHE . 3.0 mt -64.17 -25.91 68.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.915 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -51.98 -30.06 23.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 71.43 110.856 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 -32.76 30.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 63.05 110.867 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.9 mt -75.25 -25.43 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.14 111.135 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.53 ' HE2' HD22 ' A' ' 18' ' ' LEU . 43.4 m-85 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 72.31 110.92 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.85 0.357 . . . . 71.52 110.825 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -64.75 -25.26 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.911 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -37.35 51.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 72.11 110.886 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -70.01 -32.25 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.964 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.676 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.8 t80 -67.56 -40.86 84.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.893 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -51.58 -46.54 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 65.42 110.916 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -64.17 -26.78 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 74.04 110.968 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.4 -34.3 41.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.876 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.6 t -66.11 -32.8 59.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 75.31 111.152 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -64.02 -31.33 72.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 70.32 110.913 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -73.53 -51.54 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.93 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 m -67.2 -54.88 17.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.864 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.512 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.3 t -54.22 -33.19 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 63.42 111.166 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -51.32 -40.54 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.891 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -65.86 -33.14 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.871 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -66.26 -55.84 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.888 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.455 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.3 mt -58.9 -25.95 63.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 72.32 110.924 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -52.13 -34.9 46.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.838 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -31.43 58.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 42.44 110.966 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.15 -26.03 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.137 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.455 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.0 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.844 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.844 0.354 . . . . 75.43 110.903 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -68.48 -25.24 64.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.881 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -51.94 -37.77 53.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.866 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -69.17 -32.19 71.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.872 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.3 t80 -68.16 -40.27 82.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.861 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -51.92 -54.87 24.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 70.41 110.908 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -26.91 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 72.24 110.887 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -37.9 36.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.88 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.0 t -64.28 -28.23 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 52.21 111.107 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -59.59 -31.3 69.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.903 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.05 -49.12 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 74.24 110.902 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -55.0 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 51.13 110.851 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.537 HG23 HG12 ' A' ' 10' ' ' VAL . 49.6 t -58.22 -32.28 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 53.53 111.142 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -36.4 43.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 52.54 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -71.81 -34.19 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 64.42 110.837 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -65.81 -51.8 56.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.913 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.497 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -56.35 -26.17 51.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 52.34 110.955 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -30.08 25.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.881 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -79.47 -33.47 42.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 63.53 110.941 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.7 mt -73.28 -25.37 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.14 111.206 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' HE2' HD22 ' A' ' 18' ' ' LEU . 68.2 m-85 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.944 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.82 0.343 . . . . 72.41 110.835 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -61.68 -25.42 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.81 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -51.98 -36.52 49.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.938 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -72.0 -31.89 66.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 63.41 110.903 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.655 ' O ' HG23 ' A' ' 10' ' ' VAL . 28.7 t80 -66.48 -42.3 87.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 74.4 110.875 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -51.61 -53.35 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.879 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -56.92 -26.85 60.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.922 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -36.77 37.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 52.11 110.919 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 6' ' ' PHE . 13.0 t -65.98 -32.08 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 71.15 111.174 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -64.18 -31.33 72.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 75.33 110.898 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -73.27 -51.27 18.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 64.34 110.836 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -67.61 -54.91 15.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 35.14 110.889 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.515 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.7 t -54.18 -32.94 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 74.41 111.135 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -51.38 -37.12 46.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 71.33 110.891 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -58.56 -42.01 86.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.86 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -61.19 -55.56 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.838 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.483 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.9 mt -63.82 -25.91 68.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 72.13 110.889 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -52.91 -30.49 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 71.45 110.887 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.75 -31.36 40.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 74.23 110.926 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.9 mt -75.08 -25.2 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 75.32 111.184 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.483 ' HE2' HD22 ' A' ' 18' ' ' LEU . 65.2 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.902 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.339 . . . . 74.21 110.844 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -67.84 -25.0 65.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.791 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -51.89 -38.63 56.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.04 110.92 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -67.92 -31.86 71.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.297 -0.41 . . . . 73.15 110.893 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.676 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.8 t80 -69.79 -38.05 76.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 71.03 110.875 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -51.84 -49.07 63.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 62.12 110.939 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -26.85 68.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 75.35 110.905 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.41 -35.15 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 74.32 110.867 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 6' ' ' PHE . 14.7 t -65.26 -28.27 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.32 111.152 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -61.67 -31.33 71.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.846 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -49.2 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 63.21 110.855 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -55.01 21.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 73.4 110.902 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.527 ' CG2' HG12 ' A' ' 10' ' ' VAL . 49.2 t -57.36 -32.25 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 45.02 111.157 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -42.04 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -65.81 -34.41 78.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 71.33 110.9 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -65.99 -54.95 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.486 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -56.14 -26.18 49.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 62.01 110.873 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -52.1 -31.76 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.891 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -32.98 52.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.887 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.35 -27.11 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.4 111.146 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.7 m-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 71.43 110.908 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.805 0.336 . . . . 64.14 110.836 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -72.67 -25.18 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.829 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -38.08 54.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.907 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -69.12 -31.97 71.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.34 110.865 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.683 ' O ' HG23 ' A' ' 10' ' ' VAL . 25.1 t80 -68.51 -39.84 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 74.31 110.894 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -51.98 -52.0 53.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.03 110.942 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -58.18 -26.91 63.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 63.13 110.904 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -36.61 35.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 43.41 110.891 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.0 t -63.99 -28.24 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.122 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -59.59 -31.26 69.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 72.05 110.86 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -78.01 -49.14 14.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 70.22 110.848 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 m -63.82 -55.02 26.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.859 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.533 HG23 HG12 ' A' ' 10' ' ' VAL . 48.9 t -58.3 -32.21 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 71.22 111.136 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -51.53 -35.73 41.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 73.04 110.88 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -77.86 -33.65 52.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 74.1 110.835 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -64.68 -43.71 92.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 75.32 110.883 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.497 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.7 mt -55.58 -26.05 41.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.88 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -51.88 -32.29 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.938 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -75.85 -33.82 60.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.968 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.97 -25.37 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.24 111.114 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' HE2' HD22 ' A' ' 18' ' ' LEU . 65.0 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.925 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.825 0.345 . . . . 74.51 110.828 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -68.89 -25.5 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.15 110.891 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -36.67 49.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.176 -0.465 . . . . 74.15 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -72.27 -31.82 66.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.884 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.669 ' O ' HG23 ' A' ' 10' ' ' VAL . 29.8 t80 -66.26 -42.74 88.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.877 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -52.05 -43.58 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.825 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -67.6 -27.01 66.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 72.52 110.86 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -36.04 44.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.234 -0.439 . . . . 71.03 110.918 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.3 t -63.73 -28.16 44.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 65.24 111.132 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -59.4 -31.21 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 74.54 110.85 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.96 -49.11 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 64.42 110.898 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -54.94 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 75.21 110.858 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.528 ' CG2' HG12 ' A' ' 10' ' ' VAL . 48.6 t -58.42 -32.19 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 71.13 111.095 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -43.59 62.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 65.05 110.849 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -70.69 -27.25 63.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 64.33 110.912 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -31.82 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 70.33 110.905 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.6 mt -66.69 -25.77 66.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 74.52 110.835 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -51.96 -30.15 23.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.878 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -34.56 47.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 70.4 110.938 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.6 mt -71.83 -27.71 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 51.14 111.128 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' HE2' HD22 ' A' ' 18' ' ' LEU . 72.1 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 71.11 110.905 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.837 0.351 . . . . 73.23 110.857 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -68.29 -22.48 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -48.25 63.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.909 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -25.89 64.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.951 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.622 ' O ' HG23 ' A' ' 10' ' ' VAL . 20.7 t80 -83.14 -26.46 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.851 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -50.44 -49.13 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.877 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -60.87 -32.83 72.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 72.04 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -69.82 -37.25 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 54.24 110.912 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.993 HG12 HG23 ' A' ' 14' ' ' VAL . 2.8 t -79.1 -28.02 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 72.5 111.124 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.86 -31.0 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.871 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -52.58 18.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 63.12 110.858 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -66.32 -54.8 20.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 74.13 110.922 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.993 HG23 HG12 ' A' ' 10' ' ' VAL . 58.8 t -53.78 -34.46 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 51.54 111.138 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -51.46 -42.79 61.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.4 110.923 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -61.33 -34.07 74.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 72.45 110.898 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -62.12 -42.69 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.893 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.486 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.0 OUTLIER -70.74 -25.08 62.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.912 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -51.78 -30.27 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 70.24 110.918 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -77.79 -34.91 52.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.923 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.1 mt -72.42 -25.06 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.33 111.085 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 18' ' ' LEU . 67.5 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 71.25 110.905 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.805 0.336 . . . . 74.15 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -63.13 -25.5 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.906 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -37.24 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 62.23 110.944 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -69.81 -32.46 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 71.42 110.927 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.657 ' O ' HG23 ' A' ' 10' ' ' VAL . 22.4 t80 -67.26 -41.44 85.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.12 110.885 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -51.84 -54.73 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.886 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -56.02 -26.8 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 71.31 110.911 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -37.9 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.879 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 6' ' ' PHE . 14.1 t -65.48 -28.33 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 75.44 111.112 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -60.54 -31.31 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.976 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -78.08 -49.24 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.34 110.9 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.9 t -63.96 -54.95 26.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 63.01 110.82 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.52 ' CG2' HG12 ' A' ' 10' ' ' VAL . 49.4 t -58.21 -32.25 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 65.31 111.068 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -51.4 -46.76 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 70.35 110.894 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -67.1 -28.06 67.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 51.22 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -32.89 65.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.812 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.47 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.0 mt -60.37 -26.2 66.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 64.41 110.969 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -31.22 27.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.927 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -78.2 -33.66 49.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 72.43 110.914 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.88 -25.75 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 73.24 111.133 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.47 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.6 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.895 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.88 0.371 . . . . 74.4 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -56.62 -24.17 46.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 60.33 110.828 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -45.55 63.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 74.43 110.922 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -63.68 -27.64 69.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 64.11 110.937 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 10' ' ' VAL . 21.4 t80 -79.85 -26.73 40.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.901 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -50.81 -47.28 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.857 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -62.8 -30.9 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.883 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -71.91 -36.68 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.92 HG12 HG23 ' A' ' 14' ' ' VAL . 2.7 t -79.33 -28.07 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 64.54 111.105 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -51.16 -30.83 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.9 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -51.64 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.908 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -55.34 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.92 HG23 HG12 ' A' ' 10' ' ' VAL . 53.2 t -57.05 -34.86 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 64.43 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -51.79 -47.2 64.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.933 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -63.08 -35.8 81.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 70.23 110.897 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -57.3 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.782 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.503 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.3 mt -72.79 -24.72 60.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 73.34 110.884 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -52.44 -29.62 25.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 70.1 110.911 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -79.92 -32.82 40.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 62.52 110.895 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.3 mt -74.06 -25.11 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 63.21 111.152 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.503 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.6 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.907 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.759 0.314 . . . . 52.43 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -96.46 -27.44 14.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.821 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -68.84 -25.1 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 75.15 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -38.25 55.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.895 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -68.47 -31.99 71.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.894 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.8 t80 -69.05 -39.13 79.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.11 110.858 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -52.01 -54.76 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.3 110.864 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -56.28 -26.92 53.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 70.34 110.901 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.01 -37.69 38.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.933 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 6' ' ' PHE . 15.9 t -64.28 -28.18 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 71.32 111.141 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -59.72 -31.18 69.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 70.43 110.926 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -49.12 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 73.32 110.86 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -63.85 -55.04 25.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 62.34 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.534 HG23 HG12 ' A' ' 10' ' ' VAL . 49.2 t -58.23 -32.25 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 71.02 111.15 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -51.49 -32.87 29.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.836 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -77.71 -34.44 52.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 63.23 110.915 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -40.24 96.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.893 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.466 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -58.23 -26.16 62.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 64.42 110.906 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -52.33 -32.95 40.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 62.41 110.886 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.7 -31.62 52.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.89 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.2 mt -74.06 -26.35 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.41 111.129 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.466 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.8 m-85 -99.3 38.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.835 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.95 21.52 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.898 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -80.62 160.6 66.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.544 0.688 . . . . 43.02 110.89 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.55 37.07 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.662 2.242 . . . . 73.44 112.333 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 ttm -71.33 -40.96 70.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.868 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.16 149.49 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 65.43 111.105 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.5 mm -119.96 145.28 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.4 111.124 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.17 43.33 5.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 61.15 112.455 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 m -144.37 117.45 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 42.12 111.105 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.2 p -106.56 143.34 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 72.33 111.134 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -62.92 132.0 94.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.572 0.701 . . . . 73.21 111.164 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 101.63 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 70.11 112.388 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 75.12 110.909 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.755 0.312 . . . . 65.01 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -77.31 -37.46 52.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 73.21 110.886 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -63.95 -25.25 68.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 63.33 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -37.68 52.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 71.41 110.966 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -68.71 -32.37 72.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 52.51 110.91 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.679 ' O ' HG23 ' A' ' 10' ' ' VAL . 23.4 t80 -68.51 -39.82 81.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 60.02 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -51.63 -54.98 22.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 72.02 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -55.1 -26.86 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 62.52 110.932 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -36.04 35.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.913 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.8 t -66.08 -32.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 73.34 111.139 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -64.21 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 75.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -51.45 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 64.31 110.919 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -67.32 -55.0 15.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 65.31 110.848 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.516 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.5 t -54.04 -33.26 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 70.03 111.136 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -51.29 -45.33 62.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.889 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -59.88 -30.76 69.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 55.42 110.927 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -70.53 -57.69 4.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 75.5 110.875 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.474 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.0 mt -62.07 -26.24 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.938 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -52.06 -29.92 23.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.918 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -80.11 -33.76 38.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 72.15 110.955 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.6 mt -72.6 -26.59 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 73.34 111.179 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.474 ' HE2' HD22 ' A' ' 18' ' ' LEU . 61.3 m-85 -97.31 39.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 70.01 110.891 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -30.18 52.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 45.24 110.941 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -70.35 160.62 80.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.513 0.673 . . . . 73.42 110.934 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 107.26 1.81 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.668 2.245 . . . . 75.1 112.38 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 10.1 mtp -67.16 -70.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 70.35 110.88 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -171.91 145.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 72.25 111.151 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.9 mm -116.65 147.17 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 65.24 111.107 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.14 -20.17 24.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 74.34 112.441 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 m -145.46 124.99 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 61.34 111.167 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.2 p -125.12 145.24 50.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 62.31 111.176 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -53.87 131.46 57.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 73.14 111.128 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -48.33 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.229 . . . . 65.44 112.285 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.885 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.771 0.32 . . . . 74.01 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.85 -26.69 25.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 73.13 110.84 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -70.75 -25.32 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.87 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -36.79 51.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 64.54 110.825 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -71.25 -31.88 68.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 73.43 110.844 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.9 t80 -67.08 -41.61 86.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 72.31 110.893 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -51.76 -46.44 64.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 72.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -64.16 -26.82 68.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.857 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -35.05 44.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.877 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 6' ' ' PHE . 11.9 t -66.85 -31.58 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 73.13 111.097 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -31.34 72.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 61.11 110.93 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -50.8 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.972 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -66.99 -54.96 16.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 51.34 110.777 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG2' HG12 ' A' ' 10' ' ' VAL . 54.2 t -54.88 -32.92 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 62.44 111.108 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -51.41 -39.85 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.927 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -70.17 -32.52 70.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.925 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -61.73 -56.44 19.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 60.31 110.858 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.502 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.8 mt -62.7 -26.0 68.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.975 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -51.95 -31.3 28.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 62.41 110.922 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -32.56 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.4 110.911 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.8 mt -74.37 -25.29 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 51.55 111.114 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.502 ' HE2' HD22 ' A' ' 18' ' ' LEU . 55.9 m-85 -99.05 29.34 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.896 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.68 -35.15 24.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.33 110.942 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -63.74 160.65 43.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 54.4 110.945 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -16.91 37.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.713 2.275 . . . . 72.15 112.331 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -27.51 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.895 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.34 147.69 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 64.42 111.132 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.0 mm -105.13 144.87 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 63.22 111.154 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.28 30.15 3.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 52.15 112.453 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 m -147.98 125.12 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 72.34 111.134 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -146.46 144.54 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 74.34 111.169 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp -68.3 131.58 91.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.651 0.739 . . . . 71.44 111.049 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -48.33 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 61.53 112.346 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.897 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.1 tttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.739 0.304 . . . . 75.33 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.53 -40.77 8.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.868 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -62.34 -25.1 67.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 44.13 110.921 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.91 -38.71 57.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.841 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -67.45 -31.93 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 75.4 110.945 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.673 ' O ' HG23 ' A' ' 10' ' ' VAL . 23.0 t80 -69.9 -38.39 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 74.15 110.87 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -51.95 -54.9 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.892 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -26.83 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.862 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -35.08 36.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 64.34 110.915 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.0 t -67.22 -28.21 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 54.15 111.111 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.49 -31.26 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.921 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -78.02 -49.11 14.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 61.11 110.86 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -63.89 -54.99 26.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 44.23 110.854 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.537 HG23 HG12 ' A' ' 10' ' ' VAL . 48.9 t -58.36 -32.15 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 63.23 111.111 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -34.45 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 72.35 110.903 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -65.09 -38.75 91.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.911 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -62.54 -52.96 61.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.15 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.512 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.8 mt -64.82 -26.03 68.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.01 110.968 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -52.05 -30.0 23.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.22 110.859 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -81.66 -32.93 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 72.02 110.897 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.4 mt -74.04 -25.6 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 63.4 111.164 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' HE2' HD22 ' A' ' 18' ' ' LEU . 52.8 m-85 -98.0 31.09 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.781 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.77 -32.38 13.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 72.54 110.883 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -133.12 160.64 67.87 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 74.34 110.898 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 115.62 4.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.789 2.326 . . . . 63.41 112.279 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.8 -58.51 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.23 110.898 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -61.15 152.5 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 75.31 111.068 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.2 mm -111.89 143.5 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 74.34 111.101 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.36 29.69 5.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 65.54 112.502 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.7 m -148.67 126.99 3.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.92 0.391 . . . . 74.05 111.166 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 79.4 p -105.72 144.51 32.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 62.02 111.128 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -68.65 131.51 91.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 73.15 111.093 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 99.48 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 2.256 . . . . 52.12 112.279 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.794 0.331 . . . . 63.31 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -96.79 -31.83 12.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 74.12 110.91 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -68.69 -24.59 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 64.15 110.862 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -39.18 58.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 72.34 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -66.91 -31.87 72.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 55.33 110.914 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.733 ' O ' HG23 ' A' ' 10' ' ' VAL . 28.1 t80 -70.76 -36.58 73.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.9 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -51.73 -42.05 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.41 110.845 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -72.23 -26.81 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 64.25 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -31.31 55.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.9 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.3 t -66.36 -31.86 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.05 111.135 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -64.12 -31.28 72.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -73.66 -51.68 15.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 71.31 110.906 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -67.0 -54.84 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.921 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.546 ' CG2' HG12 ' A' ' 10' ' ' VAL . 54.6 t -54.17 -33.46 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 61.31 111.12 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -51.41 -40.28 58.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 75.23 110.875 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -71.2 -30.84 66.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.35 110.849 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -65.51 -58.04 6.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 73.05 110.874 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.449 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.3 mt -56.55 -26.44 54.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.841 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -29.79 25.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.848 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -80.2 -33.47 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.869 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.4 mt -72.7 -25.65 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 72.2 111.17 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' HE2' HD22 ' A' ' 18' ' ' LEU . 63.7 m-85 -98.87 40.09 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 71.32 110.892 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -95.93 21.47 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.854 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.48 160.63 27.6 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.545 0.688 . . . . 62.33 110.894 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.69 99.14 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.706 2.271 . . . . 73.5 112.342 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.06 -56.62 2.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 70.55 110.87 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.99 140.11 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.22 111.124 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.9 mm -119.96 135.4 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 73.13 111.126 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.14 29.24 4.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.48 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 m -146.39 125.61 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 63.13 111.101 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.0 p -84.47 144.61 28.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 63.1 111.116 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -63.14 131.49 94.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.72 . . . . 73.45 111.085 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 81.84 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.652 2.235 . . . . 73.3 112.348 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.768 0.318 . . . . 64.32 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -95.58 16.08 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.889 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -58.88 -24.91 62.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.91 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -38.89 58.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 74.4 110.908 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.874 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.683 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.9 t80 -70.06 -37.92 75.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.418 . . . . 72.34 110.904 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.05 -53.88 36.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 71.32 110.899 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -56.8 -26.93 59.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.84 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -36.32 38.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 73.51 110.921 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.1 t -65.15 -28.2 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 53.42 111.086 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -31.3 69.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.937 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -78.0 -49.07 14.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 72.04 110.911 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 t -63.84 -55.06 25.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 54.24 110.821 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.529 HG23 HG12 ' A' ' 10' ' ' VAL . 48.8 t -58.28 -32.32 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.42 111.108 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -51.35 -38.86 55.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.965 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -70.81 -33.59 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.829 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.69 -58.38 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.485 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -61.8 -26.08 67.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 72.44 110.881 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -52.54 -30.4 30.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.884 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -80.14 -31.93 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.874 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.0 mt -74.51 -25.26 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 71.11 111.141 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.485 ' HE2' HD22 ' A' ' 18' ' ' LEU . 64.2 m-85 -100.13 31.01 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 71.33 110.9 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 21.46 8.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 63.03 110.928 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.673 ' O ' HG12 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -102.79 160.69 25.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.576 0.703 . . . . 70.32 110.913 179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -17.92 37.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 63.14 112.445 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.6 mtt -54.73 -37.17 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.52 110.854 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 24' ' ' LYS . 13.6 p -58.12 137.45 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.21 111.114 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mm -100.44 139.48 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.24 111.094 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.19 39.92 2.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 70.5 112.474 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.6 m -140.05 122.19 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.934 0.397 . . . . 60.25 111.135 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.8 p -142.25 145.66 34.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 63.55 111.137 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 tt -60.54 132.11 90.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 75.52 111.094 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 90.3 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 72.01 112.332 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 63.32 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.4 tptm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.86 0.362 . . . . 75.33 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -93.19 16.12 13.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.821 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -65.48 -25.22 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.94 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -51.97 -37.61 53.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 73.41 110.919 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -69.43 -32.13 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 65.14 110.879 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.1 t80 -68.03 -40.53 82.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.824 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -52.04 -53.51 41.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 74.3 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -57.13 -26.9 61.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -37.58 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 75.52 110.889 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 6' ' ' PHE . 15.9 t -63.95 -28.28 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 70.3 111.133 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -59.6 -31.26 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.863 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -49.05 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 63.44 110.986 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -63.82 -55.06 25.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 54.44 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.526 ' CG2' HG12 ' A' ' 10' ' ' VAL . 49.0 t -58.28 -32.15 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 74.44 111.181 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -51.53 -48.49 62.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.934 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -63.96 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 61.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -61.68 -58.39 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.881 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.475 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.5 mt -68.1 -25.73 65.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 61.43 110.891 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -51.95 -33.31 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 73.54 110.83 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -77.32 -32.33 55.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.15 110.873 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.5 mt -73.53 -25.16 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 72.44 111.161 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' HE2' HD22 ' A' ' 18' ' ' LEU . 65.2 m-85 -101.42 26.53 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 62.13 110.811 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -26.14 18.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.913 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -59.67 160.72 13.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 63.25 110.88 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -16.8 37.5 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 74.54 112.356 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -66.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 71.13 110.873 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -63.5 132.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 61.31 111.162 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.1 mt -126.69 138.42 54.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 72.01 111.187 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.42 51.43 3.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 74.12 112.529 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.4 m -128.31 113.31 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.422 . . . . 62.11 111.097 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -134.43 145.15 48.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 73.44 111.162 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -63.28 131.51 94.8 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.621 0.724 . . . . 61.11 111.139 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 64.33 112.334 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.921 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.819 0.342 . . . . 75.55 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.42 -27.05 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 73.02 110.873 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -63.0 -25.2 68.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.12 110.939 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.88 -38.21 55.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 62.21 110.903 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -67.88 -32.2 72.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.875 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.735 ' O ' HG23 ' A' ' 10' ' ' VAL . 18.1 t80 -69.11 -39.31 79.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 63.21 110.872 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.09 -50.71 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.855 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -60.73 -26.89 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 71.51 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -28.72 36.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 71.34 110.92 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.763 HG12 HG23 ' A' ' 14' ' ' VAL . 18.3 t -72.56 -32.0 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.133 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -51.64 -31.12 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 63.15 110.856 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -69.91 -50.41 42.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 75.11 110.876 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -68.77 -55.05 12.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.831 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.763 HG23 HG12 ' A' ' 10' ' ' VAL . 48.9 t -54.2 -32.13 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 73.31 111.147 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -39.67 57.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.947 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -66.67 -33.71 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 62.15 110.89 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -63.21 -41.28 99.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.796 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.492 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -59.37 -26.13 64.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 64.54 110.845 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -52.23 -30.06 25.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 73.41 110.927 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -79.27 -33.88 43.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.873 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.8 mt -72.3 -28.54 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 63.42 111.158 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.492 ' HE2' HD22 ' A' ' 18' ' ' LEU . 69.7 m-85 -96.72 29.72 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.52 110.866 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -79.9 -36.73 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 71.52 110.936 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -54.99 160.68 2.84 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.574 0.702 . . . . 72.5 110.866 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -21.62 33.17 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.658 2.239 . . . . 73.12 112.306 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.53 64.91 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 63.51 110.842 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.09 144.62 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 71.31 111.124 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.85 142.83 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 63.55 111.108 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.76 32.66 5.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.678 -0.772 . . . . 73.13 112.45 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.5 m -142.38 118.98 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 60.34 111.145 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.6 p -91.65 142.76 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 63.3 111.157 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -56.76 131.48 78.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 75.41 111.141 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 95.87 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 65.4 112.344 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 74.2 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.746 0.307 . . . . 75.3 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -101.75 -41.82 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 63.22 110.82 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -62.79 -25.02 68.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.85 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -51.82 -38.45 55.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -67.82 -32.12 72.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 51.45 110.911 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 10' ' ' VAL . 25.0 t80 -69.48 -38.52 77.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 74.54 110.934 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -51.64 -54.76 24.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.41 110.859 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -56.34 -26.88 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 52.21 110.882 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.22 -35.81 41.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.887 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.8 t -66.19 -32.38 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 52.53 111.121 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -31.43 72.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 65.21 110.924 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.48 -51.46 17.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 64.33 110.83 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.5 m -67.27 -54.89 16.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.858 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.9 t -54.16 -33.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.1 111.125 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -51.37 -43.96 61.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 73.12 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -67.75 -28.67 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 74.11 110.873 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -48.72 79.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.852 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.498 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.9 mt -60.98 -26.02 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.03 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -52.12 -30.04 24.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 63.4 110.861 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -78.98 -34.43 44.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 72.52 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.8 mt -72.13 -26.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 72.42 111.144 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' HE2' HD22 ' A' ' 18' ' ' LEU . 69.9 m-85 -100.04 35.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.862 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -86.84 -30.4 21.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 60.42 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -67.13 160.7 69.24 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.628 0.728 . . . . 75.33 110.84 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 108.97 2.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 74.02 112.316 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.0 mmt -71.85 -73.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.937 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -175.64 136.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 54.24 111.138 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 mp -116.47 138.42 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 64.33 111.187 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.13 50.88 1.54 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.69 -0.767 . . . . 63.32 112.448 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -148.52 125.73 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 51.25 111.087 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 p -148.87 144.96 27.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 34.14 111.158 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.613 HD11 ' CD2' ' A' ' 34' ' ' PHE . 3.4 tp -53.83 131.39 57.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 63.1 111.143 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -38.34 7.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 75.43 112.365 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.613 ' CD2' HD11 ' A' ' 32' ' ' ILE . 20.9 m-85 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 73.1 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.778 0.323 . . . . 71.21 110.917 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -35.23 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.918 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -63.21 -25.28 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.815 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -37.64 53.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 51.11 110.836 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -32.23 71.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 73.13 110.816 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.8 t80 -68.49 -40.03 81.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 70.1 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -51.66 -51.31 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.905 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -59.56 -26.89 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.841 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -35.62 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 65.43 110.885 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 6' ' ' PHE . 11.9 t -67.03 -30.55 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 63.14 111.095 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -64.18 -31.34 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.929 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -74.89 -50.34 17.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 73.11 110.893 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.9 m -66.83 -54.96 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.51 110.834 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.511 ' CG2' HG12 ' A' ' 10' ' ' VAL . 52.8 t -55.42 -32.47 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.493 . . . . 50.11 111.086 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -51.41 -43.16 61.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 75.04 110.821 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -62.04 -34.44 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.2 110.892 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -65.98 -58.21 6.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 73.55 110.937 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.521 HD22 ' HE2' ' A' ' 22' ' ' PHE . 3.0 mt -60.05 -26.04 65.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 61.14 110.979 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -52.31 -29.92 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 71.44 110.887 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -82.37 -31.89 29.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.859 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.03 -25.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 72.33 111.114 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.521 ' HE2' HD22 ' A' ' 18' ' ' LEU . 50.0 m-85 -97.05 38.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 75.44 110.885 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.74 21.47 8.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 71.44 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.683 ' O ' HG12 ' A' ' 27' ' ' VAL . 20.9 mtpt -103.1 160.71 25.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.541 0.686 . . . . 74.42 110.863 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -17.02 37.68 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.252 . . . . 75.13 112.372 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -48.33 69.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 71.31 110.88 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 24' ' ' LYS . 7.5 p -55.12 137.64 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 65.24 111.112 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.3 mt -118.59 142.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 41.54 111.148 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.21 46.58 0.99 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 64.25 112.498 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.1 m -149.17 126.36 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 73.03 111.141 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.4 p -106.36 143.08 35.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 73.54 111.17 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.613 HD11 ' CD2' ' A' ' 34' ' ' PHE . 3.4 tp -61.54 131.41 92.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 73.33 111.1 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.42 7.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.73 2.287 . . . . 75.41 112.312 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.613 ' CD2' HD11 ' A' ' 32' ' ' ILE . 21.0 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 70.13 110.852 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.804 0.335 . . . . 72.45 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.29 -28.0 17.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 73.14 110.846 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -70.08 -25.12 63.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.867 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -37.94 54.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.52 110.941 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -31.35 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.945 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.669 ' O ' HG23 ' A' ' 10' ' ' VAL . 32.5 t80 -68.14 -40.18 82.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.41 110.864 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -52.03 -49.81 62.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.901 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -26.87 67.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 63.31 110.936 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -36.82 39.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 64.54 110.859 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.5 t -63.65 -28.19 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 61.02 111.104 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -31.34 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.901 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.99 -49.14 14.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 70.33 110.851 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -54.99 26.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 72.44 110.895 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.536 HG23 HG12 ' A' ' 10' ' ' VAL . 48.7 t -58.39 -32.25 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 63.11 111.116 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.42 59.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.909 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -60.37 -35.9 76.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 73.23 110.841 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -65.34 -51.69 58.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.53 HD22 ' HE2' ' A' ' 22' ' ' PHE . 3.0 mt -64.17 -25.91 68.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.915 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -51.98 -30.06 23.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 71.43 110.856 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 -32.76 30.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 63.05 110.867 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.9 mt -75.25 -25.43 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.14 111.135 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.53 ' HE2' HD22 ' A' ' 18' ' ' LEU . 43.4 m-85 -96.02 26.73 3.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 72.31 110.92 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.21 -29.85 13.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 73.31 110.838 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -69.75 160.67 78.96 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.565 0.697 . . . . 74.23 110.913 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -18.4 36.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.706 2.271 . . . . 74.13 112.336 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -64.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 71.41 110.907 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.3 m -54.03 150.51 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 73.21 111.072 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.7 143.0 41.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 73.13 111.097 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.53 30.16 3.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.809 -0.71 . . . . 64.2 112.509 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 30' ' ' VAL . 6.5 m -146.41 109.63 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.915 0.388 . . . . 63.1 111.121 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.5 p -130.23 145.67 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 64.53 111.116 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 tt -67.55 132.26 92.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 72.02 111.121 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -36.79 10.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 73.11 112.371 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.14 110.855 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 mttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.795 0.331 . . . . 74.12 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -101.64 -32.36 10.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 71.52 110.825 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -64.75 -25.26 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.911 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -37.35 51.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 72.11 110.886 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -70.01 -32.25 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.964 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.676 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.8 t80 -67.56 -40.86 84.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.893 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -51.58 -46.54 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 65.42 110.916 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -64.17 -26.78 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 74.04 110.968 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.4 -34.3 41.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.876 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.6 t -66.11 -32.8 59.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 75.31 111.152 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -64.02 -31.33 72.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 70.32 110.913 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -73.53 -51.54 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.93 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 m -67.2 -54.88 17.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.864 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.512 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.3 t -54.22 -33.19 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 63.42 111.166 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -51.32 -40.54 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.891 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -65.86 -33.14 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.871 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -66.26 -55.84 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.888 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.455 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.3 mt -58.9 -25.95 63.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 72.32 110.924 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -52.13 -34.9 46.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.838 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -31.43 58.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 42.44 110.966 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.15 -26.03 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.137 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.455 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.0 m-85 -100.54 37.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.844 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -35.47 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.9 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 155.06 3.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.493 0.663 . . . . 74.15 110.951 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 94.96 0.53 Allowed 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.774 2.316 . . . . 75.12 112.323 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -74.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 73.15 110.803 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.89 145.51 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 54.24 111.169 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.7 mt -126.26 132.76 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 64.22 111.113 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.78 26.26 8.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.823 -0.703 . . . . 64.34 112.505 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 m -148.37 122.7 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 75.14 111.084 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.1 p -112.42 144.5 41.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 63.42 111.103 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp -66.52 131.46 94.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.715 . . . . 75.25 111.22 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -48.36 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.723 2.282 . . . . 74.14 112.311 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.905 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.4 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 74.1 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -30.75 33.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.903 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -68.48 -25.24 64.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.881 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -51.94 -37.77 53.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.866 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -69.17 -32.19 71.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.872 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.3 t80 -68.16 -40.27 82.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.861 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -51.92 -54.87 24.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 70.41 110.908 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -26.91 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 72.24 110.887 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -37.9 36.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.88 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.0 t -64.28 -28.23 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 52.21 111.107 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -59.59 -31.3 69.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.903 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.05 -49.12 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 74.24 110.902 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -55.0 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 51.13 110.851 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.537 HG23 HG12 ' A' ' 10' ' ' VAL . 49.6 t -58.22 -32.28 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 53.53 111.142 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -36.4 43.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 52.54 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -71.81 -34.19 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 64.42 110.837 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -65.81 -51.8 56.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.913 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.497 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -56.35 -26.17 51.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 52.34 110.955 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -30.08 25.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.881 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -79.47 -33.47 42.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 63.53 110.941 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.7 mt -73.28 -25.37 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.14 111.206 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' HE2' HD22 ' A' ' 18' ' ' LEU . 68.2 m-85 -100.04 40.11 1.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.944 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -80.13 -26.41 39.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 73.21 110.916 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.81 160.62 49.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.53 0.681 . . . . 60.04 110.916 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 84.05 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 71.4 112.369 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -56.63 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 63.44 110.853 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.65 139.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 43.45 111.106 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.52 144.81 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.21 111.142 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.92 21.7 6.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 62.24 112.516 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.0 m -139.9 118.97 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.956 0.408 . . . . 71.31 111.121 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.8 p -58.44 142.77 47.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 62.24 111.153 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 tt -62.72 132.3 94.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 74.41 111.116 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -36.79 10.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 73.4 112.359 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 73.41 110.892 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.4 mttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.766 0.317 . . . . 74.12 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.68 -39.0 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.835 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -61.68 -25.42 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.81 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -51.98 -36.52 49.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.938 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -72.0 -31.89 66.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 63.41 110.903 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.655 ' O ' HG23 ' A' ' 10' ' ' VAL . 28.7 t80 -66.48 -42.3 87.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 74.4 110.875 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -51.61 -53.35 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.879 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -56.92 -26.85 60.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.922 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -36.77 37.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 52.11 110.919 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 6' ' ' PHE . 13.0 t -65.98 -32.08 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 71.15 111.174 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -64.18 -31.33 72.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 75.33 110.898 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -73.27 -51.27 18.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 64.34 110.836 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -67.61 -54.91 15.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 35.14 110.889 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.515 ' CG2' HG12 ' A' ' 10' ' ' VAL . 55.7 t -54.18 -32.94 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 74.41 111.135 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -51.38 -37.12 46.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 71.33 110.891 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -58.56 -42.01 86.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.86 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -61.19 -55.56 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.838 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.483 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.9 mt -63.82 -25.91 68.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 72.13 110.889 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -52.91 -30.49 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 71.45 110.887 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.75 -31.36 40.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 74.23 110.926 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.9 mt -75.08 -25.2 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 75.32 111.184 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.483 ' HE2' HD22 ' A' ' 18' ' ' LEU . 65.2 m-85 -100.28 28.76 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.902 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.32 -35.8 11.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 74.42 110.891 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 155.06 3.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.606 0.717 . . . . 72.33 110.863 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 116.83 4.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 60.21 112.36 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -73.81 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 75.02 110.885 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.07 139.0 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.22 111.14 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.2 mm -122.61 138.81 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.31 111.087 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.76 51.36 3.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 61.11 112.491 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 m -133.0 115.72 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 71.04 111.136 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.4 p -134.82 145.6 48.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 72.23 111.158 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -57.55 131.52 81.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.653 0.74 . . . . 62.22 111.085 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 95.57 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.713 2.275 . . . . 73.22 112.311 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 63.53 110.891 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.715 0.293 . . . . 72.21 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.3 16.26 13.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.844 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -67.84 -25.0 65.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.791 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -51.89 -38.63 56.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.04 110.92 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -67.92 -31.86 71.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.297 -0.41 . . . . 73.15 110.893 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.676 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.8 t80 -69.79 -38.05 76.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 71.03 110.875 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -51.84 -49.07 63.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 62.12 110.939 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -26.85 68.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 75.35 110.905 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.41 -35.15 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 74.32 110.867 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 6' ' ' PHE . 14.7 t -65.26 -28.27 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.32 111.152 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -61.67 -31.33 71.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.846 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -49.2 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 63.21 110.855 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -55.01 21.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 73.4 110.902 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.527 ' CG2' HG12 ' A' ' 10' ' ' VAL . 49.2 t -57.36 -32.25 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 45.02 111.157 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -42.04 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -65.81 -34.41 78.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 71.33 110.9 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -65.99 -54.95 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.486 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.1 mt -56.14 -26.18 49.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 62.01 110.873 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -52.1 -31.76 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.891 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -32.98 52.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.887 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.35 -27.11 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.4 111.146 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.7 m-85 -98.11 27.28 4.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 71.43 110.908 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -78.86 -34.5 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 64.51 110.902 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 155.08 3.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.584 0.707 . . . . 72.13 110.944 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 150.32 67.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.256 . . . . 64.22 112.337 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 10.9 ttm -75.94 -60.35 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 71.03 110.902 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.0 134.77 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.107 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.72 138.4 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.3 111.092 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.96 40.94 2.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 75.23 112.492 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 m -144.52 124.77 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 71.33 111.101 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.3 p -140.58 145.48 36.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -56.32 132.03 75.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 75.21 111.146 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 105.84 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.259 . . . . 70.53 112.321 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 74.51 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.831 0.348 . . . . 65.52 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -65.55 -35.17 80.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.836 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -72.67 -25.18 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.829 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -38.08 54.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.907 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -69.12 -31.97 71.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.34 110.865 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.683 ' O ' HG23 ' A' ' 10' ' ' VAL . 25.1 t80 -68.51 -39.84 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 74.31 110.894 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -51.98 -52.0 53.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.03 110.942 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -58.18 -26.91 63.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 63.13 110.904 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -36.61 35.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 43.41 110.891 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.0 t -63.99 -28.24 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.122 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -59.59 -31.26 69.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 72.05 110.86 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -78.01 -49.14 14.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 70.22 110.848 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 m -63.82 -55.02 26.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.859 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG23 HG12 ' A' ' 10' ' ' VAL . 48.9 t -58.3 -32.21 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 71.22 111.136 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -51.53 -35.73 41.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 73.04 110.88 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -77.86 -33.65 52.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 74.1 110.835 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -64.68 -43.71 92.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 75.32 110.883 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.497 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.7 mt -55.58 -26.05 41.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.88 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -51.88 -32.29 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.938 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -75.85 -33.82 60.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.968 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.97 -25.37 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.24 111.114 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' HE2' HD22 ' A' ' 18' ' ' LEU . 65.0 m-85 -99.63 40.03 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.925 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.28 21.49 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.907 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.19 160.65 81.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.524 0.678 . . . . 72.52 110.864 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 141.0 44.1 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.682 2.255 . . . . 75.11 112.307 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.8 mtt -74.09 -50.19 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.829 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.79 145.75 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 60.11 111.107 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.4 mt -97.38 133.13 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 73.4 111.09 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.28 46.41 1.57 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.761 -0.733 . . . . 63.54 112.523 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 m -144.95 125.05 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.937 0.399 . . . . 61.53 111.119 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.4 p -126.73 145.24 50.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 73.41 111.139 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 tt -56.18 131.43 74.96 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.608 0.718 . . . . 73.24 111.107 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -49.44 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 54.13 112.331 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 70.42 110.938 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.3 tttp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.778 0.323 . . . . 63.01 110.854 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -94.71 16.13 16.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 74.51 110.828 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -68.89 -25.5 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.15 110.891 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -36.67 49.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.176 -0.465 . . . . 74.15 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -72.27 -31.82 66.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.884 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.669 ' O ' HG23 ' A' ' 10' ' ' VAL . 29.8 t80 -66.26 -42.74 88.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.877 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -52.05 -43.58 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.825 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -67.6 -27.01 66.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 72.52 110.86 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -36.04 44.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.234 -0.439 . . . . 71.03 110.918 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 6' ' ' PHE . 16.3 t -63.73 -28.16 44.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 65.24 111.132 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -59.4 -31.21 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 74.54 110.85 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.96 -49.11 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 64.42 110.898 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -54.94 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 75.21 110.858 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.528 ' CG2' HG12 ' A' ' 10' ' ' VAL . 48.6 t -58.42 -32.19 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 71.13 111.095 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -43.59 62.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 65.05 110.849 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -70.69 -27.25 63.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 64.33 110.912 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -31.82 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 70.33 110.905 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.6 mt -66.69 -25.77 66.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 74.52 110.835 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -51.96 -30.15 23.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.878 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -34.56 47.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 70.4 110.938 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.6 mt -71.83 -27.71 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 51.14 111.128 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.489 ' HE2' HD22 ' A' ' 18' ' ' LEU . 72.1 m-85 -98.97 35.9 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 71.11 110.905 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -79.93 -34.84 38.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 75.52 110.861 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 155.01 3.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.578 0.704 . . . . 71.31 110.845 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 106.07 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.224 . . . . 75.45 112.31 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -69.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 62.51 110.903 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.72 139.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 72.11 111.136 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.3 mt -125.59 143.76 38.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 75.23 111.205 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.83 50.86 3.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 72.22 112.473 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 m -147.44 125.08 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 63.44 111.156 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.6 p -144.68 143.08 30.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 71.33 111.215 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp -54.79 131.44 65.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.604 0.716 . . . . 64.41 111.152 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -48.9 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.729 2.286 . . . . 74.41 112.36 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.759 0.314 . . . . 72.01 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.12 -31.04 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.857 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -68.29 -22.48 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -48.25 63.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.909 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -25.89 64.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.951 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.622 ' O ' HG23 ' A' ' 10' ' ' VAL . 20.7 t80 -83.14 -26.46 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.851 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -50.44 -49.13 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.877 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -60.87 -32.83 72.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 72.04 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -69.82 -37.25 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 54.24 110.912 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.993 HG12 HG23 ' A' ' 14' ' ' VAL . 2.8 t -79.1 -28.02 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 72.5 111.124 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.86 -31.0 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.871 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -52.58 18.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 63.12 110.858 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -66.32 -54.8 20.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 74.13 110.922 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.993 HG23 HG12 ' A' ' 10' ' ' VAL . 58.8 t -53.78 -34.46 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 51.54 111.138 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -51.46 -42.79 61.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.4 110.923 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -61.33 -34.07 74.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 72.45 110.898 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -62.12 -42.69 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.893 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.486 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.0 OUTLIER -70.74 -25.08 62.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.912 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -51.78 -30.27 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 70.24 110.918 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -77.79 -34.91 52.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.923 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.1 mt -72.42 -25.06 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.33 111.085 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 18' ' ' LEU . 67.5 m-85 -100.7 40.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 71.25 110.905 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.18 -26.12 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 71.11 110.945 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -58.23 160.74 8.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 74.2 110.847 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 152.63 69.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.679 2.253 . . . . 73.11 112.377 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.11 91.15 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 64.34 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.59 141.67 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 60.4 111.156 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.5 mt -121.8 143.35 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 70.03 111.11 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.74 -19.74 23.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 74.43 112.433 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.79 124.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 71.42 111.109 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.7 p -71.49 143.69 49.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 70.01 111.079 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -59.94 132.04 89.39 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.635 0.731 . . . . 74.32 111.159 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 103.56 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 71.54 112.326 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.895 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.76 0.314 . . . . 74.01 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -95.55 16.13 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.915 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -63.13 -25.5 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.906 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -37.24 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 62.23 110.944 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -69.81 -32.46 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 71.42 110.927 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.657 ' O ' HG23 ' A' ' 10' ' ' VAL . 22.4 t80 -67.26 -41.44 85.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.12 110.885 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -51.84 -54.73 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.886 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -56.02 -26.8 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 71.31 110.911 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -37.9 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.879 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 6' ' ' PHE . 14.1 t -65.48 -28.33 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 75.44 111.112 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -60.54 -31.31 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.976 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -78.08 -49.24 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.34 110.9 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.9 t -63.96 -54.95 26.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 63.01 110.82 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.52 ' CG2' HG12 ' A' ' 10' ' ' VAL . 49.4 t -58.21 -32.25 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 65.31 111.068 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -51.4 -46.76 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 70.35 110.894 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -67.1 -28.06 67.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 51.22 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -32.89 65.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.812 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.47 HD22 ' HE2' ' A' ' 22' ' ' PHE . 2.0 mt -60.37 -26.2 66.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 64.41 110.969 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -31.22 27.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.927 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -78.2 -33.66 49.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 72.43 110.914 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.88 -25.75 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 73.24 111.133 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.47 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.6 m-85 -99.79 36.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.895 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -29.7 56.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 71.43 110.912 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -63.17 160.67 37.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 64.22 110.915 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 139.27 40.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 72.43 112.393 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.3 ttp -104.56 -47.25 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 43.23 110.896 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -173.08 142.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 53.05 111.088 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.3 mt -92.83 127.87 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 64.1 111.159 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.32 50.96 0.69 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.744 -0.741 . . . . 60.21 112.476 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.1 m -137.86 112.99 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 64.15 111.086 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.9 p -76.71 143.12 40.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 64.05 111.122 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.3 tt -63.01 130.25 93.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.659 0.743 . . . . 74.44 111.149 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -36.64 10.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 72.02 112.293 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 70.31 110.847 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.789 0.328 . . . . 74.53 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -108.92 16.44 22.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.948 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -56.62 -24.17 46.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 60.33 110.828 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -45.55 63.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 74.43 110.922 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -63.68 -27.64 69.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 64.11 110.937 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 10' ' ' VAL . 21.4 t80 -79.85 -26.73 40.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.901 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -50.81 -47.28 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.857 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -62.8 -30.9 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.883 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -71.91 -36.68 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.92 HG12 HG23 ' A' ' 14' ' ' VAL . 2.7 t -79.33 -28.07 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 64.54 111.105 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -51.16 -30.83 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.9 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -51.64 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.908 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -55.34 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.92 HG23 HG12 ' A' ' 10' ' ' VAL . 53.2 t -57.05 -34.86 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 64.43 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -51.79 -47.2 64.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.933 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -63.08 -35.8 81.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 70.23 110.897 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -57.3 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.782 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.503 HD22 ' HE2' ' A' ' 22' ' ' PHE . 1.3 mt -72.79 -24.72 60.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 73.34 110.884 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -52.44 -29.62 25.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 70.1 110.911 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -79.92 -32.82 40.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 62.52 110.895 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.3 mt -74.06 -25.11 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 63.21 111.152 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.503 ' HE2' HD22 ' A' ' 18' ' ' LEU . 66.6 m-85 -101.7 26.9 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.907 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.12 -29.4 15.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 72.52 110.888 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -59.63 160.71 13.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.716 . . . . 60.33 110.869 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 84.16 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.716 2.278 . . . . 62.4 112.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -71.42 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.93 145.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 64.23 111.189 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.5 mp -91.42 123.83 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.32 111.129 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.49 48.99 0.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 41.11 112.487 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 m -148.25 122.05 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 73.45 111.125 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.2 p -126.96 143.67 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 64.44 111.094 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -58.98 131.43 86.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 61.51 111.141 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 102.38 1.02 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 71.45 112.33 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 72.22 110.894 -179.957 . . . . . . . . 0 0 . 1 stop_ save_