data_2fcg_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 2fcg _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 3.3 tt -62.99 -30.84 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.792 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 19.0 t -69.3 -42.08 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.44 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.92 -20.76 9.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.269 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -74.34 -38.13 63.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.201 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.635 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -81.2 -28.38 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.756 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -54.86 -50.67 68.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.443 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -74.84 -23.48 58.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.768 0.794 . . . . 0.0 109.014 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.635 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 10.1 t80 -53.59 -50.27 65.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.307 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.8 -31.36 48.7 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.457 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . 0.659 ' CG ' HH11 ' F' ' 29' ' ' ARG . 0.0 OUTLIER -73.24 -28.21 62.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.459 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -76.4 -41.16 48.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.614 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.386 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.657 0.265 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.41 -30.12 49.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.576 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 5.6 t -68.77 -38.94 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.993 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -62.99 -21.86 66.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -33.48 62.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.442 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.632 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -81.11 -28.12 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.658 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -60.87 -50.8 71.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.956 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.21 -22.34 62.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.812 0.815 . . . . 0.0 108.906 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.632 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.0 t80 -51.9 -51.1 59.24 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.558 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' F' ' 28' ' ' LEU . 4.4 mm? -52.54 -33.32 44.99 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.334 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . 0.426 ' HA ' ' HE ' ' F' ' 29' ' ' ARG . 0.7 OUTLIER -73.39 -25.6 60.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.387 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -81.48 -41.39 21.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.194 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' F' ' 27' ' ' PHE . 10.2 mt . . . . . 0 C--N 1.33 -0.241 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.674 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . 0.645 HH21 ' NE2' ' F' ' 22' ' ' GLN . 6.6 tpm_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.653 0.263 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 tt -59.77 -30.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.107 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.21 -49.07 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . 0.645 ' NE2' HH21 ' F' ' 19' ' ' ARG . 17.8 mt-30 -65.26 -21.91 66.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.513 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . 0.649 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.57 -38.78 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.231 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.627 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.9 pt -72.13 -27.62 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.466 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -63.42 -50.68 68.84 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.503 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . 0.5 ' CG ' HD22 ' F' ' 30' ' ' ASN . 30.6 t0 -69.4 -22.16 63.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.839 0.828 . . . . 0.0 109.0 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.627 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.6 t80 -51.39 -51.52 53.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.193 -1.367 . . . . 0.0 111.472 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' F' ' 28' ' ' LEU . 4.1 mm? -57.25 -41.69 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.39 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -72.98 -25.95 61.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.484 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . 0.5 HD22 ' CG ' ' F' ' 26' ' ' ASP . 64.6 m-80 -85.84 -41.2 15.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.006 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.599 -179.73 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . 0.655 HH11 ' CG ' ' F' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.656 0.265 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 2.1 tp -70.42 -30.87 44.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.543 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . 0.539 ' CG1' ' HZ1' ' F' ' 25' ' ' LYS . 8.5 t -79.26 -38.66 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.393 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.61 -20.74 66.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.077 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . 0.408 ' O ' ' OD1' ' F' ' 26' ' ' ASP . 22.0 mmt180 -73.3 -36.16 66.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.613 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -80.88 -27.61 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.316 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . 0.539 ' HZ1' ' CG1' ' F' ' 21' ' ' VAL . 5.4 mtmm -65.54 -49.65 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.252 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . 0.531 ' O ' ' ND2' ' F' ' 30' ' ' ASN . 9.8 p-10 -68.84 -21.35 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.77 0.795 . . . . 0.0 108.938 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.613 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.8 t80 -51.1 -51.75 50.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.58 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.477 HD11 ' H ' ' F' ' 28' ' ' LEU . 2.7 mp -66.62 -30.85 71.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.772 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -73.37 -25.85 60.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' F' ' 26' ' ' ASP . 56.5 m-20 -94.83 -37.49 11.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.531 -179.697 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . 0.662 HH11 ' HG2' ' F' ' 19' ' ' ARG . 3.7 mtt-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.892 0.377 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -61.88 -30.85 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.454 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 t -75.41 -39.71 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.808 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -56.91 -21.27 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.538 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -74.21 -42.54 59.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.061 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.646 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -74.74 -27.88 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.029 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -64.11 -49.94 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.159 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.63 -22.28 64.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.823 0.82 . . . . 0.0 108.942 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.646 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.3 t80 -51.96 -51.54 56.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.615 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.445 ' N ' ' CD1' ' F' ' 28' ' ' LEU . 9.7 mp -63.33 -27.43 69.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.058 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -68.49 -46.06 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.52 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . 0.482 ' OD1' ' O ' ' F' ' 27' ' ' PHE . 10.6 p-10 -82.46 -23.23 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.286 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.94 0.4 . . . . 0.0 110.298 179.892 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . 0.481 HH11 ' NE2' ' F' ' 22' ' ' GLN . 9.1 tpt180 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.862 0.363 . . . . 0.0 110.63 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 tp -59.96 -30.47 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.031 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 t -73.14 -41.7 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . 0.481 ' NE2' HH11 ' F' ' 19' ' ' ARG . 25.0 mt-30 -58.07 -20.55 40.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.364 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.01 -38.08 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.616 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.4 pt -80.59 -27.59 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.378 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.15 -50.55 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.943 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.22 -22.39 62.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.849 0.833 . . . . 0.0 108.897 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.616 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.9 t80 -51.85 -51.09 59.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.145 -1.388 . . . . 0.0 111.371 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.22 -28.45 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.828 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -36.48 82.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -88.52 -38.92 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.863 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 111.482 0.178 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 tt -59.68 -30.35 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.57 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 100.0 t -65.69 -43.48 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.03 0.443 . . . . 0.0 110.208 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -64.77 -23.57 67.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.646 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . 0.667 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.26 -37.61 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.986 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.612 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -76.07 -27.45 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.344 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -65.41 -50.32 65.92 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.547 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.52 -21.59 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.809 0.814 . . . . 0.0 108.83 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.612 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.2 t80 -51.07 -51.13 56.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.387 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' F' ' 28' ' ' LEU . 7.8 mp -53.76 -48.41 69.75 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.408 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . 0.642 ' CG ' HH11 ' F' ' 29' ' ' ARG . 2.9 mtt-85 -73.89 -34.4 64.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -78.24 -41.33 34.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.354 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' F' ' 27' ' ' PHE . 17.0 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.417 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 tp -59.58 -30.55 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 15.2 t -70.92 -37.51 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.787 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -59.57 -21.24 60.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.677 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -74.52 -39.25 62.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.386 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.8 pt -78.03 -27.83 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.776 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.17 -50.19 69.12 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.724 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -68.62 -21.82 64.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.791 0.805 . . . . 0.0 108.939 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.602 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.5 t80 -51.37 -51.66 52.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.631 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.47 ' N ' ' CD1' ' F' ' 28' ' ' LEU . 8.5 mp -56.06 -41.46 75.12 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.741 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -64.41 -25.76 68.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.674 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -83.45 -32.34 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.783 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.198 0 CA-C-O 120.785 0.326 . . . . 0.0 110.599 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 5.2 tt -63.72 -30.47 50.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.64 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.82 -36.46 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.39 . . . . 0.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.29 -27.44 65.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . 0.67 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -71.71 -37.48 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.889 -179.848 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.621 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.5 pt -81.21 -27.84 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.503 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -63.21 -50.32 70.74 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.724 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -69.19 -21.94 63.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.782 0.801 . . . . 0.0 108.926 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.621 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -51.4 -51.28 56.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.269 -1.332 . . . . 0.0 111.366 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' F' ' 28' ' ' LEU . 4.3 mm? -61.18 -42.5 98.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.595 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -58.3 -38.82 77.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -80.96 -40.76 23.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.768 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.543 -179.905 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.765 0.317 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 tp -59.08 -30.6 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.716 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.89 -37.19 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -69.75 -20.82 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.082 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . 0.658 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -72.77 -38.31 67.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.444 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.614 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.7 pt -76.8 -27.67 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.96 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -66.1 -49.92 65.86 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.032 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . 0.537 ' OD2' ' NH2' ' F' ' 29' ' ' ARG . 5.3 m-20 -67.77 -22.17 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.85 0.833 . . . . 0.0 108.948 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.614 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.8 t80 -51.5 -51.35 55.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.663 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' F' ' 28' ' ' LEU . 3.9 mm? -58.63 -39.85 81.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.924 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . 0.537 ' NH2' ' OD2' ' F' ' 26' ' ' ASP . 2.5 ttm180 -65.24 -36.1 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.705 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -82.56 -32.66 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.578 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.331 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 4.9 tt -66.22 -30.62 50.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.653 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.07 -42.44 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.978 0.418 . . . . 0.0 110.347 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -68.01 -22.2 65.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . 0.567 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.38 -38.37 63.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.609 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -74.52 -27.47 21.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.312 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -67.05 -50.17 62.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.307 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.96 -21.39 65.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.813 0.816 . . . . 0.0 108.804 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.609 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.5 t80 -50.88 -51.91 46.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.132 -1.394 . . . . 0.0 111.536 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' F' ' 28' ' ' LEU . 8.1 mp -53.1 -32.88 49.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -71.66 -25.45 62.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.432 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.18 -41.36 17.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . 0.454 HD12 ' CE2' ' F' ' 27' ' ' PHE . 10.0 mt . . . . . 0 C--N 1.33 -0.264 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.583 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . 0.638 HH11 ' CG ' ' F' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 tt -60.05 -30.69 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.862 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.89 -35.34 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.936 0.398 . . . . 0.0 110.259 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -66.07 -26.3 67.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -74.19 -50.84 17.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.32 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.601 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 1.9 pp -65.97 -27.07 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.428 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.96 -50.36 62.56 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.606 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . 0.431 ' OD2' ' ND2' ' F' ' 30' ' ' ASN . 23.6 t70 -68.77 -21.45 64.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.909 0.861 . . . . 0.0 108.711 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.601 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -50.92 -51.54 51.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.639 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' F' ' 28' ' ' LEU . 3.9 mm? -59.22 -34.29 72.0 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.713 -178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -73.07 -39.52 65.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.773 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . 0.431 ' ND2' ' OD2' ' F' ' 26' ' ' ASP . 76.0 m-20 -75.39 -41.24 56.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.889 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.754 0.311 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 tp -73.52 -30.33 29.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.64 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.36 -42.73 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.692 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -66.83 -22.02 66.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.508 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . 0.436 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.47 -35.5 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.627 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -78.78 -27.9 13.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.531 -0.467 . . . . 0.0 111.417 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -63.73 -50.3 69.65 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.61 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.36 -21.84 63.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.815 0.817 . . . . 0.0 108.868 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.627 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.2 t80 -51.66 -50.99 59.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.668 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' F' ' 28' ' ' LEU . 4.3 mm? -52.27 -34.27 45.7 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.682 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . 0.65 ' CG ' HH11 ' F' ' 29' ' ' ARG . 0.0 OUTLIER -71.59 -25.3 62.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.066 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -82.14 -41.47 20.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' F' ' 27' ' ' PHE . 9.3 mt . . . . . 0 C--N 1.331 -0.233 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.464 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.687 0.28 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.8 tp -68.31 -33.57 61.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 0.0 110.37 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -79.4 -38.94 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.368 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.38 -25.87 26.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.118 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . 0.411 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.38 -44.51 51.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.578 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.629 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.3 pt -81.44 -28.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.381 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -59.67 -50.48 73.68 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.161 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.27 -22.54 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.799 0.809 . . . . 0.0 108.933 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.629 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 6.0 t80 -52.05 -51.45 57.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.49 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' F' ' 28' ' ' LEU . 4.3 mm? -58.86 -46.79 86.93 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.449 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . 0.651 ' CG ' HH11 ' F' ' 29' ' ' ARG . 0.3 OUTLIER -60.16 -36.71 78.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.347 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -77.76 -40.15 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.288 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.181 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . 0.695 HH22 ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.589 0.233 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 tp -59.1 -30.83 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.532 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 t -79.19 -48.48 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.405 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . 0.492 HE21 ' CA ' ' F' ' 22' ' ' GLN . 0.0 OUTLIER -54.79 -20.62 8.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.977 0.418 . . . . 0.0 109.95 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . 0.695 ' HE ' HH22 ' F' ' 19' ' ' ARG . 10.0 mmt180 -74.06 -43.88 56.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.453 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.61 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.4 pt -77.23 -27.48 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.984 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -49.88 64.85 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.894 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.98 -21.67 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.771 0.796 . . . . 0.0 108.869 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.61 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.6 t80 -50.8 -51.4 51.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.441 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' F' ' 28' ' ' LEU . 8.5 mp -60.82 -31.79 71.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.59 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -73.05 -36.35 66.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -80.91 -41.76 22.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.887 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.082 -179.872 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . 0.658 HH11 ' CG ' ' F' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.559 0.219 . . . . 0.0 111.463 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -59.29 -30.82 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.056 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 81.0 t -73.44 -48.78 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.618 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -20.81 7.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -74.4 -47.52 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.615 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.9 pt -67.54 -27.19 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.421 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -50.51 68.71 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.806 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . 0.54 ' OD1' ' ND2' ' F' ' 30' ' ' ASN . 9.6 t70 -70.68 -22.25 62.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.879 0.847 . . . . 0.0 108.846 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.615 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.9 t80 -51.4 -51.13 57.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.028 -1.442 . . . . 0.0 111.313 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.72 -27.68 69.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.934 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -71.56 -37.01 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . 0.54 ' ND2' ' OD1' ' F' ' 26' ' ' ASP . 39.9 m-20 -87.17 -41.35 13.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.03 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.565 -179.802 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.771 0.32 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 tp -59.23 -30.46 43.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.36 -37.86 79.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.713 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -73.17 -22.77 60.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.644 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -74.23 -30.88 62.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.634 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.1 pt -81.21 -28.01 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.734 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -59.69 -50.95 71.84 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.365 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . 0.449 ' O ' ' OD1' ' F' ' 26' ' ' ASP . 20.8 t0 -70.99 -22.74 62.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.811 0.815 . . . . 0.0 108.863 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.634 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -52.23 -51.34 58.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.722 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.41 -27.91 57.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.589 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . 0.663 ' CG ' HH11 ' F' ' 29' ' ' ARG . 0.0 OUTLIER -64.45 -40.99 96.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.419 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -78.37 -38.06 42.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.467 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.468 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.628 0.251 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 tp -70.52 -30.48 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.348 . . . . 0.0 110.367 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 t -77.39 -40.85 29.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -54.8 -21.4 11.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.48 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -74.12 -40.94 62.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.66 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.8 pt -81.32 -28.08 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.336 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -58.47 -50.54 73.35 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.211 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -72.18 -23.07 61.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.791 0.805 . . . . 0.0 108.928 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.66 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.3 t80 -52.6 -51.27 60.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.428 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.08 -29.11 69.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.927 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -67.07 -30.65 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -96.32 -39.51 9.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.23 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.17 -179.436 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . 0.667 HH11 ' CG ' ' F' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.819 0.342 . . . . 0.0 110.425 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 6.4 tt -59.65 -30.83 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 t -73.6 -39.14 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.855 0.36 . . . . 0.0 110.641 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -63.26 -21.11 66.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.431 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -74.37 -41.18 61.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.613 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -74.92 -27.4 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.322 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -66.48 -50.04 64.6 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.268 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.55 -21.69 65.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.86 0.838 . . . . 0.0 108.767 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.613 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.9 t80 -51.23 -51.12 56.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.584 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' F' ' 28' ' ' LEU . 4.0 mm? -55.78 -44.38 77.7 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.356 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.12 -40.64 90.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.428 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -75.43 -39.5 58.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.633 0.254 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tp -59.53 -30.5 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.577 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.39 -35.05 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.55 -20.57 58.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 23' ' ' ARG . . . . . 0.422 ' O ' ' OD1' ' F' ' 26' ' ' ASP . 1.5 mmt180 -72.94 -30.72 64.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 24' ' ' ILE . . . . . 0.564 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.1 pt -77.49 -27.34 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.62 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -65.66 -50.41 65.06 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.722 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 26' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' F' ' 23' ' ' ARG . 12.9 p-10 -67.94 -21.74 65.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.837 0.827 . . . . 0.0 108.8 178.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 27' ' ' PHE . . . . . 0.564 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.0 t80 -51.02 -50.9 57.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.511 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 28' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' F' ' 28' ' ' LEU . 8.8 mp -56.55 -30.05 62.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.043 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 29' ' ' ARG . . . . . 0.688 HH11 ' HG3' ' F' ' 29' ' ' ARG . 0.6 OUTLIER -61.28 -46.3 90.92 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.547 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -76.74 -37.17 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.358 179.888 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . 0.437 HD12 HG21 ' F' ' 13' ' ' ILE . 16.1 mm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.59 133.59 3.49 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -74.25 116.6 15.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.592 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -147.9 -67.49 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.372 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . 0.437 ' O ' ' CG2' ' F' ' 20' ' ' ILE . 0.2 OUTLIER -74.07 -30.2 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.398 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -28.62 70.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -55.45 -50.3 70.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.574 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . 0.437 ' CG2' ' O ' ' F' ' 17' ' ' PHE . 3.3 tt -62.99 -30.84 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.792 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 19.0 t -69.3 -42.08 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.44 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.92 -20.76 9.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.269 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -74.34 -38.13 63.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.201 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.635 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -81.2 -28.38 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.756 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -54.86 -50.67 68.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.443 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -74.84 -23.48 58.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.768 0.794 . . . . 0.0 109.014 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.635 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 10.1 t80 -53.59 -50.27 65.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.307 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.8 -31.36 48.7 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.457 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . 0.659 ' CG ' HH11 ' F' ' 29' ' ' ARG . 0.0 OUTLIER -73.24 -28.21 62.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.459 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -76.4 -41.16 48.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.614 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.65 124.26 51.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.386 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' F' ' 33' ' ' PRO . 14.9 t -82.61 121.7 78.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' F' ' 32' ' ' VAL . 79.7 Cg_exo -43.67 173.98 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 122.282 1.988 . . . . 0.0 112.134 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -70.58 90.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.564 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 17.2 m 43.85 71.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.515 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -167.19 136.32 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.513 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 24.1 pt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.86 118.61 0.51 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -77.38 52.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.777 0.322 . . . . 0.0 110.469 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -84.74 -150.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.749 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -31.11 69.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.646 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -53.42 -29.35 34.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.871 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -65.71 -36.32 83.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.756 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.41 -30.12 49.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.576 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 5.6 t -68.77 -38.94 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.993 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -62.99 -21.86 66.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -33.48 62.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.442 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.632 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -81.11 -28.12 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.658 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -60.87 -50.8 71.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.956 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.21 -22.34 62.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.812 0.815 . . . . 0.0 108.906 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.632 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.0 t80 -51.9 -51.1 59.24 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.558 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' F' ' 28' ' ' LEU . 4.4 mm? -52.54 -33.32 44.99 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.334 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . 0.426 ' HA ' ' HE ' ' F' ' 29' ' ' ARG . 0.7 OUTLIER -73.39 -25.6 60.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.387 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -81.48 -41.39 21.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.194 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' F' ' 27' ' ' PHE . 10.2 mt -66.24 -75.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.674 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 22.8 t 53.57 71.68 1.33 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.476 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -77.89 162.12 29.66 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.712 2.275 . . . . 0.0 112.22 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . 0.673 HH11 ' CG ' ' F' ' 34' ' ' ARG . 0.0 OUTLIER -80.06 161.53 25.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.645 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 4.5 t -175.47 43.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . 0.409 ' CG ' ' H ' ' F' ' 37' ' ' SER . 3.8 tp10 61.82 -129.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.458 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' SER . . . . . 0.409 ' H ' ' CG ' ' F' ' 36' ' ' GLU . 4.8 m . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 13.4 tt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' F' ' 15' ' ' LYS . . . 178.54 97.78 0.11 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' F' ' 14' ' ' GLY . 21.2 ttpp 58.17 151.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.625 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' F' ' 16' ' ' GLU . 1.6 pm0 -151.65 107.09 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.344 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . 0.407 ' O ' ' CG2' ' F' ' 20' ' ' ILE . 0.3 OUTLIER -73.41 -30.97 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -67.41 -29.45 68.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.889 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . 0.645 HH21 ' NE2' ' F' ' 22' ' ' GLN . 6.6 tpm_? -66.53 -49.66 65.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.354 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . 0.407 ' CG2' ' O ' ' F' ' 17' ' ' PHE . 4.0 tt -59.77 -30.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.107 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.21 -49.07 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . 0.645 ' NE2' HH21 ' F' ' 19' ' ' ARG . 17.8 mt-30 -65.26 -21.91 66.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.513 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . 0.649 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.57 -38.78 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.231 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.627 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.9 pt -72.13 -27.62 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.466 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -63.42 -50.68 68.84 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.503 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . 0.5 ' CG ' HD22 ' F' ' 30' ' ' ASN . 30.6 t0 -69.4 -22.16 63.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.839 0.828 . . . . 0.0 109.0 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.627 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.6 t80 -51.39 -51.52 53.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.193 -1.367 . . . . 0.0 111.472 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' F' ' 28' ' ' LEU . 4.1 mm? -57.25 -41.69 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.39 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -72.98 -25.95 61.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.484 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . 0.5 HD22 ' CG ' ' F' ' 26' ' ' ASP . 64.6 m-80 -85.84 -41.2 15.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.006 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.82 165.25 6.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.599 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 22.5 t 49.86 63.22 10.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.284 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . 0.418 ' HG2' ' H ' ' F' ' 34' ' ' ARG . 70.5 Cg_endo -79.21 -66.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.826 2.351 . . . . 0.0 112.156 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . 0.418 ' H ' ' HG2' ' F' ' 33' ' ' PRO . 87.8 mtt180 -84.94 -153.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 63.5 p -78.68 -105.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.409 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -103.29 -77.78 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.582 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 95.6 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.589 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . 0.403 HG23 HD13 ' F' ' 13' ' ' ILE . 7.5 mm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.86 151.92 13.09 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 tptt -170.3 151.34 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.711 0.291 . . . . 0.0 110.518 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -134.58 -18.44 1.92 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.05 -39.02 63.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.538 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -53.01 -29.56 30.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.691 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . 0.655 HH11 ' CG ' ' F' ' 19' ' ' ARG . 0.0 OUTLIER -56.74 -35.49 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 2.1 tp -70.42 -30.87 44.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.543 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . 0.539 ' CG1' ' HZ1' ' F' ' 25' ' ' LYS . 8.5 t -79.26 -38.66 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.393 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.61 -20.74 66.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.077 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . 0.408 ' O ' ' OD1' ' F' ' 26' ' ' ASP . 22.0 mmt180 -73.3 -36.16 66.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.613 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -80.88 -27.61 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.316 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . 0.539 ' HZ1' ' CG1' ' F' ' 21' ' ' VAL . 5.4 mtmm -65.54 -49.65 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.252 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . 0.531 ' O ' ' ND2' ' F' ' 30' ' ' ASN . 9.8 p-10 -68.84 -21.35 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.77 0.795 . . . . 0.0 108.938 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.613 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.8 t80 -51.1 -51.75 50.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.58 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.477 HD11 ' H ' ' F' ' 28' ' ' LEU . 2.7 mp -66.62 -30.85 71.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.772 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -73.37 -25.85 60.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' F' ' 26' ' ' ASP . 56.5 m-20 -94.83 -37.49 11.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' F' ' 32' ' ' VAL . 7.2 mp -68.58 4.49 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.531 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . 0.463 ' H ' ' C ' ' F' ' 30' ' ' ASN . 98.0 t 51.73 102.35 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.393 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.71 -92.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.292 1.994 . . . . 0.0 112.213 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . 0.45 ' C ' ' HG1' ' F' ' 35' ' ' THR . 43.4 ttt180 -172.18 153.57 3.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.669 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 35' ' ' THR . . . . . 0.45 ' HG1' ' C ' ' F' ' 34' ' ' ARG . 0.0 OUTLIER 37.47 85.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.742 179.725 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -40.68 112.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.63 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.25 -79.47 1.45 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' F' ' 17' ' ' PHE . 20.7 tptt 67.26 -146.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.729 0.299 . . . . 0.0 110.454 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . 0.469 ' H ' ' CG ' ' F' ' 15' ' ' LYS . 4.3 tm-20 68.16 -38.95 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . 0.576 ' H ' ' C ' ' F' ' 15' ' ' LYS . 0.1 OUTLIER -60.18 -29.84 68.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.727 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -52.59 -30.04 29.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.864 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . 0.662 HH11 ' HG2' ' F' ' 19' ' ' ARG . 3.7 mtt-85 -75.09 -30.66 60.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.892 0.377 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -61.88 -30.85 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.454 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . 0.442 ' CG2' ' CZ ' ' F' ' 17' ' ' PHE . 10.4 t -75.41 -39.71 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.808 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -56.91 -21.27 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.538 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -74.21 -42.54 59.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.061 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.646 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -74.74 -27.88 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.029 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -64.11 -49.94 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.159 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.63 -22.28 64.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.823 0.82 . . . . 0.0 108.942 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.646 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.3 t80 -51.96 -51.54 56.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.615 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.445 ' N ' ' CD1' ' F' ' 28' ' ' LEU . 9.7 mp -63.33 -27.43 69.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.058 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -68.49 -46.06 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.52 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . 0.585 ' C ' ' H ' ' F' ' 32' ' ' VAL . 10.6 p-10 -82.46 -23.23 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.286 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.65 27.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.94 0.4 . . . . 0.0 110.298 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . 0.585 ' H ' ' C ' ' F' ' 30' ' ' ASN . 35.0 t -108.44 100.47 38.07 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.247 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -80.42 -59.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.345 2.03 . . . . 0.0 112.305 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 48.01 32.01 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.252 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 18.2 m -62.92 -55.02 29.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.712 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 59.35 97.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 pt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.38 -171.41 43.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . 0.511 ' CB ' ' HZ1' ' F' ' 15' ' ' LYS . 9.4 mtmp? -141.32 -119.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 110.434 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 54.07 -87.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' F' ' 17' ' ' PHE . 0.7 OUTLIER -74.09 -43.52 57.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.859 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -52.59 -29.35 25.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.375 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . 0.481 HH11 ' NE2' ' F' ' 22' ' ' GLN . 9.1 tpt180 -63.31 -41.54 98.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.63 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 tp -59.96 -30.47 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.031 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 t -73.14 -41.7 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . 0.481 ' NE2' HH11 ' F' ' 19' ' ' ARG . 25.0 mt-30 -58.07 -20.55 40.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.364 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.01 -38.08 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.616 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.4 pt -80.59 -27.59 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.378 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.15 -50.55 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.943 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.22 -22.39 62.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.849 0.833 . . . . 0.0 108.897 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.616 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.9 t80 -51.85 -51.09 59.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.145 -1.388 . . . . 0.0 111.371 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.22 -28.45 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.828 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -36.48 82.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -88.52 -38.92 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -77.03 -51.16 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 t -116.1 88.13 21.33 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -47.24 -20.16 1.29 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.506 2.137 . . . . 0.0 112.243 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -77.1 134.34 38.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 23.5 m -147.99 83.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.641 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . 0.4 ' O ' ' OG ' ' F' ' 37' ' ' SER . 36.4 tt0 -83.93 119.33 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.466 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 37' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' F' ' 36' ' ' GLU . 21.3 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 tt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' F' ' 16' ' ' GLU . . . -161.62 142.18 7.84 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' F' ' 16' ' ' GLU . 41.8 mttp 36.14 -91.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.635 0.255 . . . . 0.0 110.987 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' F' ' 14' ' ' GLY . 35.4 mm-40 46.16 98.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . 0.436 ' O ' ' CG2' ' F' ' 20' ' ' ILE . 0.1 OUTLIER -58.23 -29.09 65.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.434 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -63.55 -29.4 70.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.18 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -63.23 -50.26 70.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.482 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' F' ' 17' ' ' PHE . 4.2 tt -59.68 -30.35 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.57 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 100.0 t -65.69 -43.48 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.03 0.443 . . . . 0.0 110.208 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -64.77 -23.57 67.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.646 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . 0.667 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.26 -37.61 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.986 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.612 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -76.07 -27.45 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.344 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -65.41 -50.32 65.92 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.547 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.52 -21.59 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.809 0.814 . . . . 0.0 108.83 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.612 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.2 t80 -51.07 -51.13 56.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.387 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' F' ' 28' ' ' LEU . 7.8 mp -53.76 -48.41 69.75 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.408 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . 0.642 ' CG ' HH11 ' F' ' 29' ' ' ARG . 2.9 mtt-85 -73.89 -34.4 64.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -78.24 -41.33 34.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.354 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' F' ' 27' ' ' PHE . 17.0 mt -41.19 -30.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.417 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.86 115.04 14.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.402 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -43.27 117.39 1.01 Allowed 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.237 1.958 . . . . 0.0 112.162 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -96.91 44.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.615 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 19.0 m -66.14 -45.68 80.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.464 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -88.88 147.45 24.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.514 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.538 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . 0.428 ' N ' ' NZ ' ' F' ' 15' ' ' LYS . 16.4 pt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.01 -65.62 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . 0.428 ' NZ ' ' N ' ' F' ' 13' ' ' ILE . 0.1 OUTLIER -53.03 173.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.308 . . . . 0.0 110.451 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -128.69 -5.07 5.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.19 -33.55 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.682 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -53.03 -29.5 29.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.76 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -56.59 -47.54 79.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.695 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 tp -59.58 -30.55 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 15.2 t -70.92 -37.51 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.787 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -59.57 -21.24 60.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.677 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -74.52 -39.25 62.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.386 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.8 pt -78.03 -27.83 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.776 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.17 -50.19 69.12 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.724 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -68.62 -21.82 64.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.791 0.805 . . . . 0.0 108.939 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.602 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.5 t80 -51.37 -51.66 52.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.631 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.47 ' N ' ' CD1' ' F' ' 28' ' ' LEU . 8.5 mp -56.06 -41.46 75.12 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.741 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -64.41 -25.76 68.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.674 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -83.45 -32.34 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.783 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.35 132.36 41.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.785 0.326 . . . . 0.0 110.599 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 4.2 t 42.92 76.31 0.54 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' F' ' 34' ' ' ARG . 74.4 Cg_endo -79.07 82.8 2.41 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.64 2.227 . . . . 0.0 112.16 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' F' ' 33' ' ' PRO . 52.2 mtp180 49.8 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.697 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 68.3 p -98.73 -62.78 1.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.521 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -59.39 163.17 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.582 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.579 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 11.1 tt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 39.4 -102.74 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . 0.413 ' NZ ' ' CB ' ' F' ' 15' ' ' LYS . 7.3 mtmp? -89.59 108.24 19.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.728 0.299 . . . . 0.0 110.318 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -139.46 51.31 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.545 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . 0.408 ' O ' ' CG2' ' F' ' 20' ' ' ILE . 0.1 OUTLIER -57.56 -29.5 64.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.053 0.454 . . . . 0.0 110.326 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -57.77 -28.31 63.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.256 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -54.89 -50.52 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.672 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' F' ' 17' ' ' PHE . 5.2 tt -63.72 -30.47 50.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.64 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . 0.401 ' CG2' ' CZ ' ' F' ' 17' ' ' PHE . 21.6 t -67.82 -36.46 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.39 . . . . 0.0 110.579 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.29 -27.44 65.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . 0.67 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -71.71 -37.48 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.889 -179.848 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.621 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.5 pt -81.21 -27.84 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.503 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -63.21 -50.32 70.74 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.724 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -69.19 -21.94 63.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.782 0.801 . . . . 0.0 108.926 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.621 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -51.4 -51.28 56.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.269 -1.332 . . . . 0.0 111.366 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' F' ' 28' ' ' LEU . 4.3 mm? -61.18 -42.5 98.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.595 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -58.3 -38.82 77.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -80.96 -40.76 23.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.768 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' F' ' 32' ' ' VAL . 6.8 mp -62.85 -93.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.543 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . 0.506 ' C ' ' O ' ' F' ' 31' ' ' LEU . 4.8 m 26.68 75.0 0.33 Allowed Pre-proline 0 CA--C 1.529 0.159 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.409 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -72.71 135.22 23.4 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.443 2.095 . . . . 0.0 111.955 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . 0.67 HH11 ' CG ' ' F' ' 34' ' ' ARG . 0.0 OUTLIER -39.3 141.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.844 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 13.5 m -159.4 64.83 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.569 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -157.54 119.6 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.49 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.585 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 66.3 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.21 67.92 0.3 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . 0.546 ' C ' ' H ' ' F' ' 17' ' ' PHE . 0.1 OUTLIER 44.0 -152.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 110.629 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 71.84 -32.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.809 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . 0.546 ' H ' ' C ' ' F' ' 15' ' ' LYS . 0.7 OUTLIER -74.35 -38.03 63.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.777 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -52.59 -29.3 25.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.869 0.366 . . . . 0.0 110.506 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -63.62 -46.51 85.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.694 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 tp -59.08 -30.6 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.716 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.89 -37.19 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -69.75 -20.82 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.082 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . 0.658 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -72.77 -38.31 67.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.444 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.614 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.7 pt -76.8 -27.67 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.96 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -66.1 -49.92 65.86 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.032 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . 0.537 ' OD2' ' NH2' ' F' ' 29' ' ' ARG . 5.3 m-20 -67.77 -22.17 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.85 0.833 . . . . 0.0 108.948 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.614 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.8 t80 -51.5 -51.35 55.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.663 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' F' ' 28' ' ' LEU . 3.9 mm? -58.63 -39.85 81.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.924 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . 0.537 ' NH2' ' OD2' ' F' ' 26' ' ' ASP . 2.5 ttm180 -65.24 -36.1 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.705 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -82.56 -32.66 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.578 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -89.37 75.32 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' F' ' 29' ' ' ARG . 0.0 OUTLIER -151.91 157.15 34.42 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . 0.459 ' O ' ' O ' ' F' ' 34' ' ' ARG . 52.2 Cg_endo -70.04 80.51 0.96 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . 0.461 ' C ' ' H ' ' F' ' 36' ' ' GLU . 31.7 mtm180 40.85 99.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 1.6 p -76.33 40.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.39 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . 0.461 ' H ' ' C ' ' F' ' 34' ' ' ARG . 19.8 pt-20 -41.41 127.64 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.722 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.533 -179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 9.1 pt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.66 -0.02 55.39 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -162.84 128.45 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.534 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -52.07 135.78 30.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . 0.434 ' CZ ' ' CG2' ' F' ' 21' ' ' VAL . 0.6 OUTLIER -70.92 -38.97 72.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.44 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -53.58 -28.21 30.79 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.644 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -55.13 -49.88 70.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.616 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . 0.423 ' CG2' ' O ' ' F' ' 17' ' ' PHE . 4.9 tt -66.22 -30.62 50.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.653 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . 0.434 ' CG2' ' CZ ' ' F' ' 17' ' ' PHE . 60.0 t -65.07 -42.44 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.978 0.418 . . . . 0.0 110.347 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -68.01 -22.2 65.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . 0.567 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.38 -38.37 63.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.609 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -74.52 -27.47 21.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.312 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -67.05 -50.17 62.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.307 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.96 -21.39 65.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.813 0.816 . . . . 0.0 108.804 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.609 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.5 t80 -50.88 -51.91 46.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.132 -1.394 . . . . 0.0 111.536 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' F' ' 28' ' ' LEU . 8.1 mp -53.1 -32.88 49.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -71.66 -25.45 62.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.432 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.18 -41.36 17.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . 0.454 HD12 ' CE2' ' F' ' 27' ' ' PHE . 10.0 mt -63.33 -127.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.583 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.98 78.67 11.39 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.763 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -49.7 175.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.598 2.198 . . . . 0.0 112.094 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -173.36 142.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.451 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 44.3 p -75.73 -105.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.591 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 40.87 56.97 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.717 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.95 166.82 11.54 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -73.83 173.21 10.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 0.0 110.535 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' F' ' 16' ' ' GLU . 11.8 pm0 -137.23 55.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.375 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . 0.465 ' O ' ' CG2' ' F' ' 20' ' ' ILE . 1.0 OUTLIER -73.92 -34.77 64.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -62.5 -29.58 70.65 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.806 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . 0.638 HH11 ' CG ' ' F' ' 19' ' ' ARG . 0.0 OUTLIER -61.15 -50.1 74.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.747 -179.089 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' F' ' 17' ' ' PHE . 3.6 tt -60.05 -30.69 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.862 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.89 -35.34 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.936 0.398 . . . . 0.0 110.259 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -66.07 -26.3 67.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -74.19 -50.84 17.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.32 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.601 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 1.9 pp -65.97 -27.07 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.428 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.96 -50.36 62.56 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.606 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . 0.431 ' OD2' ' ND2' ' F' ' 30' ' ' ASN . 23.6 t70 -68.77 -21.45 64.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.909 0.861 . . . . 0.0 108.711 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.601 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -50.92 -51.54 51.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.639 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' F' ' 28' ' ' LEU . 3.9 mm? -59.22 -34.29 72.0 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.713 -178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -73.07 -39.52 65.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.773 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . 0.431 ' ND2' ' OD2' ' F' ' 26' ' ' ASP . 76.0 m-20 -75.39 -41.24 56.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.889 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mp -50.06 -52.42 34.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 25.8 t -67.71 132.2 92.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.012 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.15 -95.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.19 1.926 . . . . 0.0 112.042 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -149.11 34.68 0.74 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 30.1 p -88.03 -12.57 43.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.491 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -172.99 -168.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' F' ' 13' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . 0.466 ' N ' ' CG2' ' F' ' 13' ' ' ILE . . . -149.2 11.65 1.04 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -73.02 87.04 1.34 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.831 0.348 . . . . 0.0 110.419 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -177.25 -45.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -74.3 -45.68 45.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -52.6 -29.65 26.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.58 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.13 -28.58 67.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.286 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 tp -73.52 -30.33 29.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.64 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.36 -42.73 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.692 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -66.83 -22.02 66.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.508 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . 0.436 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.47 -35.5 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.627 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -78.78 -27.9 13.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.531 -0.467 . . . . 0.0 111.417 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -63.73 -50.3 69.65 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.61 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.36 -21.84 63.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.815 0.817 . . . . 0.0 108.868 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.627 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.2 t80 -51.66 -50.99 59.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.668 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' F' ' 28' ' ' LEU . 4.3 mm? -52.27 -34.27 45.7 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.682 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . 0.65 ' CG ' HH11 ' F' ' 29' ' ' ARG . 0.0 OUTLIER -71.59 -25.3 62.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.066 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -82.14 -41.47 20.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' F' ' 32' ' ' VAL . 9.3 mt -68.3 148.59 50.54 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.464 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' F' ' 31' ' ' LEU . 7.1 p -37.65 102.39 0.24 Allowed Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -82.72 -95.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.4 2.067 . . . . 0.0 112.065 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . 0.515 ' O ' ' NE ' ' F' ' 34' ' ' ARG . 0.0 OUTLIER -171.65 44.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.289 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 7.2 m 46.86 70.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . 0.488 ' OE2' ' NH2' ' F' ' 29' ' ' ARG . 61.0 mt-10 -64.42 -106.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 49.0 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.585 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 134.38 169.55 12.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -111.14 -43.25 3.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.798 0.333 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -162.99 162.26 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.84 -34.23 58.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.545 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -53.09 -29.31 29.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.676 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -55.57 -37.47 68.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.8 tp -68.31 -33.57 61.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 0.0 110.37 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -79.4 -38.94 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.368 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.38 -25.87 26.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.118 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . 0.411 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.38 -44.51 51.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.578 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.629 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.3 pt -81.44 -28.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.381 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -59.67 -50.48 73.68 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.161 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.27 -22.54 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.799 0.809 . . . . 0.0 108.933 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.629 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 6.0 t80 -52.05 -51.45 57.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.49 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' F' ' 28' ' ' LEU . 4.3 mm? -58.86 -46.79 86.93 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.449 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . 0.651 ' CG ' HH11 ' F' ' 29' ' ' ARG . 0.3 OUTLIER -60.16 -36.71 78.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.347 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -77.76 -40.15 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.288 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -77.89 163.05 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.181 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 t -143.58 72.45 17.44 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.34 -58.68 1.03 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.768 2.312 . . . . 0.0 111.899 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . 0.645 HH11 ' CG ' ' F' ' 34' ' ' ARG . 0.0 OUTLIER 54.29 -152.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.459 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 5.2 m -132.82 53.84 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.507 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.92 -32.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.56 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.76 169.88 47.43 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' F' ' 16' ' ' GLU . 18.2 pttp -158.96 -43.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.319 . . . . 0.0 110.568 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' F' ' 15' ' ' LYS . 68.5 mm-40 55.4 163.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.663 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -29.67 61.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.923 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -53.16 -29.92 34.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.319 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . 0.695 HH22 ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -58.37 -43.42 88.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.892 -179.797 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 tp -59.1 -30.83 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.532 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 t -79.19 -48.48 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.405 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . 0.492 HE21 ' CA ' ' F' ' 22' ' ' GLN . 0.0 OUTLIER -54.79 -20.62 8.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.977 0.418 . . . . 0.0 109.95 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . 0.695 ' HE ' HH22 ' F' ' 19' ' ' ARG . 10.0 mmt180 -74.06 -43.88 56.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.453 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.61 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.4 pt -77.23 -27.48 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.984 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -49.88 64.85 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.894 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.98 -21.67 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.771 0.796 . . . . 0.0 108.869 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.61 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.6 t80 -50.8 -51.4 51.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.441 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' F' ' 28' ' ' LEU . 8.5 mp -60.82 -31.79 71.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.59 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -73.05 -36.35 66.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' F' ' 32' ' ' VAL . 8.2 m-20 -80.91 -41.76 22.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.887 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.34 68.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.082 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' F' ' 34' ' ' ARG . 35.0 m -81.49 149.96 65.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.672 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' F' ' 34' ' ' ARG . 87.1 Cg_exo -41.31 -17.45 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.481 2.121 . . . . 0.0 112.141 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' F' ' 32' ' ' VAL . 23.2 ttp180 76.24 169.14 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.499 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 28.1 m 59.85 8.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.573 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.96 126.65 28.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.489 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.547 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.78 16.96 2.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -162.76 108.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -75.69 65.5 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.699 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . 0.411 ' O ' ' CG2' ' F' ' 20' ' ' ILE . 0.5 OUTLIER -73.31 -30.73 63.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.43 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -67.22 -29.29 68.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.59 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . 0.658 HH11 ' CG ' ' F' ' 19' ' ' ARG . 0.0 OUTLIER -66.35 -49.91 65.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.463 -179.244 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . 0.411 ' CG2' ' O ' ' F' ' 17' ' ' PHE . 3.9 tt -59.29 -30.82 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.056 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 81.0 t -73.44 -48.78 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.618 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -20.81 7.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -74.4 -47.52 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.615 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.9 pt -67.54 -27.19 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.421 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -50.51 68.71 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.806 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . 0.54 ' OD1' ' ND2' ' F' ' 30' ' ' ASN . 9.6 t70 -70.68 -22.25 62.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.879 0.847 . . . . 0.0 108.846 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.615 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.9 t80 -51.4 -51.13 57.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.028 -1.442 . . . . 0.0 111.313 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.72 -27.68 69.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.934 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -71.56 -37.01 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . 0.54 ' ND2' ' OD1' ' F' ' 26' ' ' ASP . 39.9 m-20 -87.17 -41.35 13.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.03 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 mp -49.28 149.34 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.565 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' F' ' 34' ' ' ARG . 35.0 m -40.21 146.84 0.39 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -40.58 83.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.634 2.223 . . . . 0.0 112.382 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . 0.657 HH11 ' CG ' ' F' ' 34' ' ' ARG . 0.0 OUTLIER -150.1 86.63 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.254 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 9.7 m -57.62 -68.81 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.469 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -175.54 153.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 tp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.64 -68.13 0.16 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -110.05 57.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 110.353 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' F' ' 17' ' ' PHE . 11.5 tt0 -144.59 179.54 7.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.154 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . 0.427 ' H ' ' HG2' ' F' ' 16' ' ' GLU . 0.3 OUTLIER -73.72 -33.59 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.673 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -53.04 -29.79 31.87 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.582 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -57.47 -49.04 77.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.73 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 tp -59.23 -30.46 43.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.36 -37.86 79.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.713 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -73.17 -22.77 60.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.644 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -74.23 -30.88 62.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.634 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.1 pt -81.21 -28.01 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.734 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -59.69 -50.95 71.84 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.365 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . 0.449 ' O ' ' OD1' ' F' ' 26' ' ' ASP . 20.8 t0 -70.99 -22.74 62.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.811 0.815 . . . . 0.0 108.863 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.634 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -52.23 -51.34 58.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.722 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.41 -27.91 57.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.589 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . 0.663 ' CG ' HH11 ' F' ' 29' ' ' ARG . 0.0 OUTLIER -64.45 -40.99 96.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.419 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -78.37 -38.06 42.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.467 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' F' ' 32' ' ' VAL . 10.9 mp -78.05 57.37 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.468 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' F' ' 31' ' ' LEU . 2.6 m -29.74 94.99 0.07 OUTLIER Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.187 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' F' ' 31' ' ' LEU . 94.8 Cg_endo -85.74 -164.87 0.25 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.687 2.258 . . . . 0.0 112.22 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -162.96 32.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.509 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 35' ' ' THR . . . . . 0.43 ' O ' ' OG1' ' F' ' 35' ' ' THR . 1.4 t -174.63 27.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 45.0 36.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.552 -179.861 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.26 -57.99 1.42 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' F' ' 16' ' ' GLU . 10.2 mtpm? -47.79 -73.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.54 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' F' ' 15' ' ' LYS . 19.9 tp10 52.12 102.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -34.22 63.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.597 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.73 -30.17 42.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.294 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -65.24 -28.43 69.35 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.056 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 tp -70.52 -30.48 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.348 . . . . 0.0 110.367 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 t -77.39 -40.85 29.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -54.8 -21.4 11.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.48 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -74.12 -40.94 62.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.66 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.8 pt -81.32 -28.08 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.336 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -58.47 -50.54 73.35 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.211 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -72.18 -23.07 61.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.791 0.805 . . . . 0.0 108.928 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.66 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.3 t80 -52.6 -51.27 60.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.428 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.08 -29.11 69.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.927 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -67.07 -30.65 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . 0.54 ' C ' ' H ' ' F' ' 32' ' ' VAL . 28.2 t-20 -96.32 -39.51 9.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.23 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 mp -57.68 -0.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.17 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . 0.54 ' H ' ' C ' ' F' ' 30' ' ' ASN . 2.2 p -165.44 83.14 1.1 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.411 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -83.24 -165.71 0.34 Allowed 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.712 2.275 . . . . 0.0 111.967 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -48.69 121.35 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -54.88 -28.5 50.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.661 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' F' ' 36' ' ' GLU . 6.3 mp0 -53.35 119.66 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.629 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' F' ' 15' ' ' LYS . . . 160.28 115.62 0.39 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' F' ' 17' ' ' PHE . 15.6 mttp 43.48 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.64 0.257 . . . . 0.0 110.663 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' F' ' 15' ' ' LYS . 8.4 pt-20 32.6 33.23 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.096 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' F' ' 15' ' ' LYS . 0.1 OUTLIER -70.06 -29.85 66.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.655 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . 0.522 ' O ' ' NE2' ' F' ' 22' ' ' GLN . 48.0 mtpt -52.4 -29.58 24.92 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.542 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . 0.667 HH11 ' CG ' ' F' ' 19' ' ' ARG . 0.0 OUTLIER -58.95 -42.12 89.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.425 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 6.4 tt -59.65 -30.83 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 t -73.6 -39.14 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.855 0.36 . . . . 0.0 110.641 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' F' ' 18' ' ' LYS . 1.9 mp0 -63.26 -21.11 66.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.431 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -74.37 -41.18 61.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.613 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -74.92 -27.4 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.322 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -66.48 -50.04 64.6 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.268 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.55 -21.69 65.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.86 0.838 . . . . 0.0 108.767 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.613 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.9 t80 -51.23 -51.12 56.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.584 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' F' ' 28' ' ' LEU . 4.0 mm? -55.78 -44.38 77.7 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.356 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.12 -40.64 90.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.428 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -75.43 -39.5 58.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.66 -60.84 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 16.1 m -116.43 129.98 24.84 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.437 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.51 -62.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.265 1.976 . . . . 0.0 112.181 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -170.64 79.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.602 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 35' ' ' THR . . . . . 0.467 ' C ' ' H ' ' F' ' 37' ' ' SER . 10.1 t -104.94 -17.88 14.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -77.67 29.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.622 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 37' ' ' SER . . . . . 0.467 ' H ' ' C ' ' F' ' 35' ' ' THR . 16.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 tt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.13 -59.08 0.1 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -88.31 -148.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.472 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -165.79 107.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.399 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -29.44 61.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.026 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 18' ' ' LYS . . . . . 0.539 ' O ' ' NE2' ' F' ' 22' ' ' GLN . 80.2 mttt -52.82 -31.5 39.21 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.153 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -76.47 -33.56 58.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.173 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tp -59.53 -30.5 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.577 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.39 -35.05 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 22' ' ' GLN . . . . . 0.539 ' NE2' ' O ' ' F' ' 18' ' ' LYS . 2.6 mp0 -75.55 -20.57 58.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . 0.422 ' O ' ' OD1' ' F' ' 26' ' ' ASP . 1.5 mmt180 -72.94 -30.72 64.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 24' ' ' ILE . . . . . 0.564 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.1 pt -77.49 -27.34 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.62 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -65.66 -50.41 65.06 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.722 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 26' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' F' ' 23' ' ' ARG . 12.9 p-10 -67.94 -21.74 65.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.837 0.827 . . . . 0.0 108.8 178.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 27' ' ' PHE . . . . . 0.564 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.0 t80 -51.02 -50.9 57.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.511 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 28' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' F' ' 32' ' ' VAL . 8.8 mp -56.55 -30.05 62.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.043 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 29' ' ' ARG . . . . . 0.688 HH11 ' HG3' ' F' ' 29' ' ' ARG . 0.6 OUTLIER -61.28 -46.3 90.92 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.547 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -76.74 -37.17 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 31' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' F' ' 32' ' ' VAL . 10.3 mp -79.98 -13.31 59.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.358 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 32' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' F' ' 28' ' ' LEU . 8.6 p 22.38 66.89 0.33 Allowed Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.444 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.93 179.31 5.33 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.005 2.47 . . . . 0.0 112.064 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 34' ' ' ARG . . . . . 0.537 ' C ' ' H ' ' F' ' 36' ' ' GLU . 48.1 mtp180 -87.9 117.05 26.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.458 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 35' ' ' THR . . . . . 0.527 ' C ' ' H ' ' F' ' 37' ' ' SER . 23.9 p -74.33 28.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 36' ' ' GLU . . . . . 0.537 ' H ' ' C ' ' F' ' 34' ' ' ARG . 9.0 mm-40 52.77 8.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 37' ' ' SER . . . . . 0.527 ' H ' ' C ' ' F' ' 35' ' ' THR . 8.6 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 3.3 tt -62.99 -30.84 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.792 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 19.0 t -69.3 -42.08 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.44 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.92 -20.76 9.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.269 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -74.34 -38.13 63.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.201 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.702 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -81.2 -28.38 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.756 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -54.86 -50.67 68.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.443 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -74.84 -23.48 58.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.768 0.794 . . . . 0.0 109.014 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.702 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 10.1 t80 -53.59 -50.27 65.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.307 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' F' ' 28' ' ' LEU . 4.5 mm? -53.8 -31.36 48.7 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.457 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 29' ' ' ARG . . . . . 0.672 HH11 ' CG ' ' F' ' 29' ' ' ARG . 0.0 OUTLIER -73.24 -28.21 62.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.459 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -76.4 -41.16 48.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.614 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' F' ' 27' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.386 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.657 0.265 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.41 -30.12 49.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.576 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 5.6 t -68.77 -38.94 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.993 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -62.99 -21.86 66.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 23' ' ' ARG . . . . . 0.409 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.46 -33.48 62.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.442 -179.689 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.681 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -81.11 -28.12 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.658 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -60.87 -50.8 71.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.956 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.21 -22.34 62.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.812 0.815 . . . . 0.0 108.906 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.681 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.0 t80 -51.9 -51.1 59.24 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.558 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.48 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.4 mm? -52.54 -33.32 44.99 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.334 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 29' ' ' ARG . . . . . 0.455 ' HA ' ' HE ' ' F' ' 29' ' ' ARG . 0.7 OUTLIER -73.39 -25.6 60.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.387 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -81.48 -41.39 21.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.194 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' F' ' 27' ' ' PHE . 10.2 mt . . . . . 0 C--N 1.33 -0.241 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.674 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 19' ' ' ARG . . . . . 0.459 ' NH2' ' OE1' ' F' ' 22' ' ' GLN . 6.6 tpm_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.653 0.263 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 tt -59.77 -30.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.107 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.21 -49.07 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 22' ' ' GLN . . . . . 0.459 ' OE1' ' NH2' ' F' ' 19' ' ' ARG . 58.8 mt-30 -65.26 -21.91 66.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.513 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 23' ' ' ARG . . . . . 0.661 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.57 -38.78 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.231 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.675 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.9 pt -72.13 -27.62 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.466 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -63.42 -50.68 68.84 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.503 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -69.4 -22.16 63.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.839 0.828 . . . . 0.0 109.0 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.675 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.6 t80 -51.39 -51.52 53.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.193 -1.367 . . . . 0.0 111.472 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.433 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.1 mm? -57.25 -41.69 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.39 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -72.98 -25.95 61.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.484 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -85.84 -41.2 15.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.006 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' F' ' 27' ' ' PHE . 7.8 mp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.599 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 19' ' ' ARG . . . . . 0.665 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.656 0.265 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 2.1 tp -70.42 -30.87 44.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.543 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 t -79.26 -38.66 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.393 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.61 -20.74 66.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.077 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 23' ' ' ARG . . . . . 0.408 ' O ' ' OD1' ' F' ' 26' ' ' ASP . 22.0 mmt180 -73.3 -36.16 66.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.662 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -80.88 -27.61 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.316 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -65.54 -49.65 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.252 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 26' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' F' ' 23' ' ' ARG . 9.8 p-10 -68.84 -21.35 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.77 0.795 . . . . 0.0 108.938 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.662 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.8 t80 -51.1 -51.75 50.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.58 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.601 HD12 ' H ' ' F' ' 28' ' ' LEU . 2.7 mp -66.62 -30.85 71.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.772 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -73.37 -25.85 60.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -94.83 -37.49 11.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.473 HD13 ' O ' ' F' ' 27' ' ' PHE . 7.2 mp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.531 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 19' ' ' ARG . . . . . 0.7 HH11 ' HG2' ' F' ' 19' ' ' ARG . 3.7 mtt-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.892 0.377 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -61.88 -30.85 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.454 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 t -75.41 -39.71 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.808 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -56.91 -21.27 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.538 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -74.21 -42.54 59.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.061 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.693 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -74.74 -27.88 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.029 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -64.11 -49.94 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.159 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.63 -22.28 64.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.823 0.82 . . . . 0.0 108.942 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.693 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.3 t80 -51.96 -51.54 56.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.615 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.505 HD12 ' N ' ' F' ' 28' ' ' LEU . 9.7 mp -63.33 -27.43 69.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.058 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -68.49 -46.06 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.52 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 30' ' ' ASN . . . . . 0.482 ' OD1' ' O ' ' F' ' 27' ' ' PHE . 10.6 p-10 -82.46 -23.23 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.286 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.568 HD13 ' O ' ' F' ' 27' ' ' PHE . 5.6 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.94 0.4 . . . . 0.0 110.298 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.862 0.363 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 tp -59.96 -30.47 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.031 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 t -73.14 -41.7 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -58.07 -20.55 40.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.364 . . . . 0.0 110.404 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.01 -38.08 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.659 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.4 pt -80.59 -27.59 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.378 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.15 -50.55 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.943 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.22 -22.39 62.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.849 0.833 . . . . 0.0 108.897 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.659 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.9 t80 -51.85 -51.09 59.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.145 -1.388 . . . . 0.0 111.371 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.22 -28.45 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.828 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -36.48 82.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -88.52 -38.92 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.529 HD22 ' CE2' ' F' ' 27' ' ' PHE . 7.1 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 111.482 0.178 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 20' ' ' ILE . . . . . 0.409 ' H ' HG22 ' F' ' 20' ' ' ILE . 4.2 tt -59.68 -30.35 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.57 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 100.0 t -65.69 -43.48 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.03 0.443 . . . . 0.0 110.208 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -64.77 -23.57 67.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.646 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 23' ' ' ARG . . . . . 0.68 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.26 -37.61 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.986 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.645 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -76.07 -27.45 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.344 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -65.41 -50.32 65.92 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.547 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.52 -21.59 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.809 0.814 . . . . 0.0 108.83 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.855 ' CD2' HD11 ' F' ' 31' ' ' LEU . 4.2 t80 -51.07 -51.13 56.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.387 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.54 HD12 ' N ' ' F' ' 28' ' ' LEU . 7.8 mp -53.76 -48.41 69.75 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.408 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 29' ' ' ARG . . . . . 0.657 HH11 ' CG ' ' F' ' 29' ' ' ARG . 2.9 mtt-85 -73.89 -34.4 64.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -78.24 -41.33 34.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.354 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.855 HD11 ' CD2' ' F' ' 27' ' ' PHE . 17.0 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.417 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 tp -59.58 -30.55 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 15.2 t -70.92 -37.51 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.787 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -59.57 -21.24 60.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.677 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -74.52 -39.25 62.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.386 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.655 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.8 pt -78.03 -27.83 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.776 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.17 -50.19 69.12 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.724 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -68.62 -21.82 64.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.791 0.805 . . . . 0.0 108.939 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.655 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.5 t80 -51.37 -51.66 52.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.631 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.525 HD12 ' N ' ' F' ' 28' ' ' LEU . 8.5 mp -56.06 -41.46 75.12 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.741 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -64.41 -25.76 68.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.674 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -83.45 -32.34 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.783 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.427 HD11 ' CE2' ' F' ' 27' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.198 0 CA-C-O 120.785 0.326 . . . . 0.0 110.599 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 5.2 tt -63.72 -30.47 50.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.64 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.82 -36.46 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.39 . . . . 0.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.29 -27.44 65.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 23' ' ' ARG . . . . . 0.684 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -71.71 -37.48 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.889 -179.848 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.665 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.5 pt -81.21 -27.84 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.503 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -63.21 -50.32 70.74 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.724 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -69.19 -21.94 63.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.782 0.801 . . . . 0.0 108.926 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.665 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -51.4 -51.28 56.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.269 -1.332 . . . . 0.0 111.366 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.453 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.3 mm? -61.18 -42.5 98.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.595 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -58.3 -38.82 77.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -80.96 -40.76 23.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.768 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.453 HD13 ' O ' ' F' ' 27' ' ' PHE . 6.8 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.543 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.765 0.317 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 tp -59.08 -30.6 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.716 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.89 -37.19 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -69.75 -20.82 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.082 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 23' ' ' ARG . . . . . 0.672 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -72.77 -38.31 67.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.444 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.646 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.7 pt -76.8 -27.67 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.96 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -66.1 -49.92 65.86 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.032 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 26' ' ' ASP . . . . . 0.537 ' OD2' ' NH2' ' F' ' 29' ' ' ARG . 5.3 m-20 -67.77 -22.17 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.85 0.833 . . . . 0.0 108.948 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.646 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.8 t80 -51.5 -51.35 55.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.663 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.492 HD22 ' N ' ' F' ' 28' ' ' LEU . 3.9 mm? -58.63 -39.85 81.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.924 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 29' ' ' ARG . . . . . 0.537 ' NH2' ' OD2' ' F' ' 26' ' ' ASP . 2.5 ttm180 -65.24 -36.1 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.705 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -82.56 -32.66 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.578 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.478 HD22 ' CE2' ' F' ' 27' ' ' PHE . 6.9 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 4.9 tt -66.22 -30.62 50.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.653 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.07 -42.44 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.978 0.418 . . . . 0.0 110.347 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -68.01 -22.2 65.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 23' ' ' ARG . . . . . 0.59 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.38 -38.37 63.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.655 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -74.52 -27.47 21.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.312 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -67.05 -50.17 62.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.307 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.96 -21.39 65.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.813 0.816 . . . . 0.0 108.804 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.655 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.5 t80 -50.88 -51.91 46.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.132 -1.394 . . . . 0.0 111.536 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.525 HD12 ' N ' ' F' ' 28' ' ' LEU . 8.1 mp -53.1 -32.88 49.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -71.66 -25.45 62.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.432 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.18 -41.36 17.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' F' ' 27' ' ' PHE . 10.0 mt . . . . . 0 C--N 1.33 -0.264 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.583 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 19' ' ' ARG . . . . . 0.649 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 20' ' ' ILE . . . . . 0.402 HG22 ' H ' ' F' ' 20' ' ' ILE . 3.6 tt -60.05 -30.69 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.862 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.89 -35.34 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.936 0.398 . . . . 0.0 110.259 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -66.07 -26.3 67.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -74.19 -50.84 17.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.32 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.647 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 1.9 pp -65.97 -27.07 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.428 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.96 -50.36 62.56 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.606 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 26' ' ' ASP . . . . . 0.431 ' OD2' ' ND2' ' F' ' 30' ' ' ASN . 23.6 t70 -68.77 -21.45 64.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.909 0.861 . . . . 0.0 108.711 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.647 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -50.92 -51.54 51.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.639 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.506 HD22 ' N ' ' F' ' 28' ' ' LEU . 3.9 mm? -59.22 -34.29 72.0 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.713 -178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -73.07 -39.52 65.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.773 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 30' ' ' ASN . . . . . 0.431 ' ND2' ' OD2' ' F' ' 26' ' ' ASP . 76.0 m-20 -75.39 -41.24 56.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.889 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.754 0.311 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 tp -73.52 -30.33 29.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.64 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.36 -42.73 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.692 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -66.83 -22.02 66.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.508 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 23' ' ' ARG . . . . . 0.461 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.47 -35.5 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.679 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -78.78 -27.9 13.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.531 -0.467 . . . . 0.0 111.417 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -63.73 -50.3 69.65 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.61 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.36 -21.84 63.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.815 0.817 . . . . 0.0 108.868 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.679 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.2 t80 -51.66 -50.99 59.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.668 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.464 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.3 mm? -52.27 -34.27 45.7 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.682 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 29' ' ' ARG . . . . . 0.661 HH11 ' CG ' ' F' ' 29' ' ' ARG . 0.0 OUTLIER -71.59 -25.3 62.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.066 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -82.14 -41.47 20.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' F' ' 27' ' ' PHE . 9.3 mt . . . . . 0 C--N 1.331 -0.233 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.464 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.687 0.28 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.8 tp -68.31 -33.57 61.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 0.0 110.37 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -79.4 -38.94 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.368 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -54.38 -25.87 26.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.118 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 23' ' ' ARG . . . . . 0.442 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.38 -44.51 51.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.578 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.692 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.3 pt -81.44 -28.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.381 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -59.67 -50.48 73.68 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.161 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.27 -22.54 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.799 0.809 . . . . 0.0 108.933 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.692 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 6.0 t80 -52.05 -51.45 57.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.49 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.423 ' N ' HD22 ' F' ' 28' ' ' LEU . 4.3 mm? -58.86 -46.79 86.93 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.449 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 29' ' ' ARG . . . . . 0.662 HH11 ' CG ' ' F' ' 29' ' ' ARG . 0.3 OUTLIER -60.16 -36.71 78.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.347 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -77.76 -40.15 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.288 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.181 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' F' F ' 19' ' ' ARG . . . . . 0.738 HH22 ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.589 0.233 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 tp -59.1 -30.83 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.532 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 t -79.19 -48.48 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.405 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -54.79 -20.62 8.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.977 0.418 . . . . 0.0 109.95 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 23' ' ' ARG . . . . . 0.738 ' HE ' HH22 ' F' ' 19' ' ' ARG . 10.0 mmt180 -74.06 -43.88 56.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.453 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.653 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.4 pt -77.23 -27.48 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.984 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -49.88 64.85 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.894 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.98 -21.67 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.771 0.796 . . . . 0.0 108.869 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.653 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.6 t80 -50.8 -51.4 51.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.441 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.547 HD12 ' N ' ' F' ' 28' ' ' LEU . 8.5 mp -60.82 -31.79 71.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.59 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -73.05 -36.35 66.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -80.91 -41.76 22.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.887 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.082 -179.872 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' F' F ' 19' ' ' ARG . . . . . 0.672 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.559 0.219 . . . . 0.0 111.463 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -59.29 -30.82 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.056 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 81.0 t -73.44 -48.78 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.618 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -20.81 7.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -74.4 -47.52 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.672 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.9 pt -67.54 -27.19 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.421 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -50.51 68.71 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.806 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 26' ' ' ASP . . . . . 0.54 ' OD1' ' ND2' ' F' ' 30' ' ' ASN . 9.6 t70 -70.68 -22.25 62.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.879 0.847 . . . . 0.0 108.846 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.672 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.9 t80 -51.4 -51.13 57.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.028 -1.442 . . . . 0.0 111.313 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.72 -27.68 69.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.934 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -71.56 -37.01 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 30' ' ' ASN . . . . . 0.54 ' ND2' ' OD1' ' F' ' 26' ' ' ASP . 39.9 m-20 -87.17 -41.35 13.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.03 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.469 HD13 ' O ' ' F' ' 27' ' ' PHE . 5.3 mp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.565 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.771 0.32 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 tp -59.23 -30.46 43.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.36 -37.86 79.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.713 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -73.17 -22.77 60.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.644 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -74.23 -30.88 62.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.692 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.1 pt -81.21 -28.01 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.734 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -59.69 -50.95 71.84 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.365 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 26' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' F' ' 26' ' ' ASP . 20.8 t0 -70.99 -22.74 62.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.811 0.815 . . . . 0.0 108.863 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.692 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -52.23 -51.34 58.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.722 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.433 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.4 mm? -56.41 -27.91 57.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.589 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 29' ' ' ARG . . . . . 0.678 HH11 ' CG ' ' F' ' 29' ' ' ARG . 0.0 OUTLIER -64.45 -40.99 96.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.419 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -78.37 -38.06 42.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.467 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.446 HD12 ' N ' ' F' ' 31' ' ' LEU . 10.9 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.468 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.628 0.251 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 tp -70.52 -30.48 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.348 . . . . 0.0 110.367 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 t -77.39 -40.85 29.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -54.8 -21.4 11.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.48 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -74.12 -40.94 62.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.719 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.8 pt -81.32 -28.08 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.336 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -58.47 -50.54 73.35 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.211 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -72.18 -23.07 61.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.791 0.805 . . . . 0.0 108.928 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.719 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.3 t80 -52.6 -51.27 60.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.428 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.408 ' N ' HD12 ' F' ' 28' ' ' LEU . 9.9 mp -66.08 -29.11 69.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.927 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -67.07 -30.65 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -96.32 -39.51 9.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.23 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 31' ' ' LEU . . . . . 0.475 HD13 ' O ' ' F' ' 27' ' ' PHE . 5.7 mp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.17 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 19' ' ' ARG . . . . . 0.682 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.819 0.342 . . . . 0.0 110.425 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 6.4 tt -59.65 -30.83 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 t -73.6 -39.14 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.855 0.36 . . . . 0.0 110.641 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -63.26 -21.11 66.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.431 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -74.37 -41.18 61.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.657 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -74.92 -27.4 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.322 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -66.48 -50.04 64.6 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.268 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.55 -21.69 65.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.86 0.838 . . . . 0.0 108.767 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.657 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.9 t80 -51.23 -51.12 56.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.584 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.54 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.0 mm? -55.78 -44.38 77.7 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.356 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.12 -40.64 90.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.428 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -75.43 -39.5 58.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.633 0.254 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tp -59.53 -30.5 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.577 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.39 -35.05 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.55 -20.57 58.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 23' ' ' ARG . . . . . 0.422 ' O ' ' OD1' ' F' ' 26' ' ' ASP . 1.5 mmt180 -72.94 -30.72 64.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 24' ' ' ILE . . . . . 0.621 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.1 pt -77.49 -27.34 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.62 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -65.66 -50.41 65.06 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.722 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 26' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' F' ' 23' ' ' ARG . 12.9 p-10 -67.94 -21.74 65.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.837 0.827 . . . . 0.0 108.8 178.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 27' ' ' PHE . . . . . 0.621 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.0 t80 -51.02 -50.9 57.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.511 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 28' ' ' LEU . . . . . 0.517 HD12 ' N ' ' F' ' 28' ' ' LEU . 8.8 mp -56.55 -30.05 62.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.043 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 29' ' ' ARG . . . . . 0.702 ' HG3' HH11 ' F' ' 29' ' ' ARG . 0.6 OUTLIER -61.28 -46.3 90.92 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.547 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -76.74 -37.17 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.358 179.888 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 16.1 mm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.59 133.59 3.49 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -74.25 116.6 15.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.592 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -147.9 -67.49 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.372 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.515 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.2 OUTLIER -74.07 -30.2 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.398 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -28.62 70.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -55.45 -50.3 70.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.574 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.515 HG22 ' O ' ' F' ' 17' ' ' PHE . 3.3 tt -62.99 -30.84 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.792 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 19.0 t -69.3 -42.08 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.44 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.92 -20.76 9.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.269 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -74.34 -38.13 63.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.201 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.702 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -81.2 -28.38 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.756 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -54.86 -50.67 68.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.443 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -74.84 -23.48 58.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.768 0.794 . . . . 0.0 109.014 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.702 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 10.1 t80 -53.59 -50.27 65.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.307 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' F' ' 28' ' ' LEU . 4.5 mm? -53.8 -31.36 48.7 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.457 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 29' ' ' ARG . . . . . 0.672 HH11 ' CG ' ' F' ' 29' ' ' ARG . 0.0 OUTLIER -73.24 -28.21 62.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.459 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -76.4 -41.16 48.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.614 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' F' ' 27' ' ' PHE . 0.1 OUTLIER -110.65 124.26 51.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.386 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 32' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' F' ' 33' ' ' PRO . 14.9 t -82.61 121.7 78.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 33' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' F' ' 32' ' ' VAL . 79.7 Cg_exo -43.67 173.98 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 122.282 1.988 . . . . 0.0 112.134 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -70.58 90.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.564 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 17.2 m 43.85 71.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.515 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -167.19 136.32 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.513 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 24.1 pt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.86 118.61 0.51 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -77.38 52.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.777 0.322 . . . . 0.0 110.469 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -84.74 -150.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.749 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.422 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.0 OUTLIER -60.29 -31.11 69.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.646 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -53.42 -29.35 34.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.871 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -65.71 -36.32 83.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.756 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.422 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.3 tp -64.41 -30.12 49.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.576 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 5.6 t -68.77 -38.94 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.993 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -62.99 -21.86 66.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 23' ' ' ARG . . . . . 0.409 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.46 -33.48 62.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.442 -179.689 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.681 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -81.11 -28.12 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.658 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -60.87 -50.8 71.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.956 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.21 -22.34 62.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.812 0.815 . . . . 0.0 108.906 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.681 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.0 t80 -51.9 -51.1 59.24 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.558 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.48 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.4 mm? -52.54 -33.32 44.99 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.334 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 29' ' ' ARG . . . . . 0.455 ' HA ' ' HE ' ' F' ' 29' ' ' ARG . 0.7 OUTLIER -73.39 -25.6 60.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.387 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -81.48 -41.39 21.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.194 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' F' ' 27' ' ' PHE . 10.2 mt -66.24 -75.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.674 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 22.8 t 53.57 71.68 1.33 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.476 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -77.89 162.12 29.66 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.712 2.275 . . . . 0.0 112.22 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 34' ' ' ARG . . . . . 0.687 ' CG ' HH11 ' F' ' 34' ' ' ARG . 0.0 OUTLIER -80.06 161.53 25.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.645 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 4.5 t -175.47 43.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 61.82 -129.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.458 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.588 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 13' ' ' ILE . . . . . 0.433 HG23 ' N ' ' F' ' 14' ' ' GLY . 13.4 tt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 14' ' ' GLY . . . . . 0.433 ' N ' HG23 ' F' ' 13' ' ' ILE . . . 178.54 97.78 0.11 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 15' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' F' ' 14' ' ' GLY . 21.2 ttpp 58.17 151.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.625 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 16' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' F' ' 16' ' ' GLU . 1.6 pm0 -151.65 107.09 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.344 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.407 ' O ' ' CG2' ' F' ' 20' ' ' ILE . 0.3 OUTLIER -73.41 -30.97 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -67.41 -29.45 68.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.889 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 19' ' ' ARG . . . . . 0.459 ' NH2' ' OE1' ' F' ' 22' ' ' GLN . 6.6 tpm_? -66.53 -49.66 65.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.354 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.407 ' CG2' ' O ' ' F' ' 17' ' ' PHE . 4.0 tt -59.77 -30.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.107 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.21 -49.07 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 22' ' ' GLN . . . . . 0.459 ' OE1' ' NH2' ' F' ' 19' ' ' ARG . 58.8 mt-30 -65.26 -21.91 66.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.513 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 23' ' ' ARG . . . . . 0.661 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.57 -38.78 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.231 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.675 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.9 pt -72.13 -27.62 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.466 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -63.42 -50.68 68.84 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.503 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -69.4 -22.16 63.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.839 0.828 . . . . 0.0 109.0 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.675 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.6 t80 -51.39 -51.52 53.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.193 -1.367 . . . . 0.0 111.472 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.433 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.1 mm? -57.25 -41.69 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.39 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -72.98 -25.95 61.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.484 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -85.84 -41.2 15.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.006 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' F' ' 27' ' ' PHE . 7.8 mp -62.82 165.25 6.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.599 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 22.5 t 49.86 63.22 10.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.284 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -79.21 -66.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.826 2.351 . . . . 0.0 112.156 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -84.94 -153.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.595 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 63.5 p -78.68 -105.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.409 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -103.29 -77.78 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.582 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 95.6 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.589 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 13' ' ' ILE . . . . . 0.429 HG22 ' H ' ' F' ' 14' ' ' GLY . 7.5 mm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 14' ' ' GLY . . . . . 0.429 ' H ' HG22 ' F' ' 13' ' ' ILE . . . -174.86 151.92 13.09 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 tptt -170.3 151.34 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.711 0.291 . . . . 0.0 110.518 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -134.58 -18.44 1.92 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.468 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.5 OUTLIER -74.05 -39.02 63.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.538 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -53.01 -29.56 30.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.691 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 19' ' ' ARG . . . . . 0.665 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER -56.74 -35.49 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.468 HG22 ' O ' ' F' ' 17' ' ' PHE . 2.1 tp -70.42 -30.87 44.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.543 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 t -79.26 -38.66 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.393 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.61 -20.74 66.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.077 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 23' ' ' ARG . . . . . 0.408 ' O ' ' OD1' ' F' ' 26' ' ' ASP . 22.0 mmt180 -73.3 -36.16 66.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.662 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -80.88 -27.61 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.316 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -65.54 -49.65 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.252 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 26' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' F' ' 23' ' ' ARG . 9.8 p-10 -68.84 -21.35 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.77 0.795 . . . . 0.0 108.938 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.662 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.8 t80 -51.1 -51.75 50.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.58 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.601 HD12 ' H ' ' F' ' 28' ' ' LEU . 2.7 mp -66.62 -30.85 71.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.772 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -73.37 -25.85 60.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 30' ' ' ASN . . . . . 0.426 ' C ' ' H ' ' F' ' 32' ' ' VAL . 16.6 m120 -94.83 -37.49 11.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.473 HD13 ' O ' ' F' ' 27' ' ' PHE . 7.2 mp -68.58 4.49 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.531 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 32' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' F' ' 31' ' ' LEU . 98.0 t 51.73 102.35 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.393 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.71 -92.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.292 1.994 . . . . 0.0 112.213 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 34' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' F' ' 35' ' ' THR . 43.4 ttt180 -172.18 153.57 3.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.669 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 35' ' ' THR . . . . . 0.4 ' C ' ' O ' ' F' ' 34' ' ' ARG . 0.0 OUTLIER 37.47 85.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.742 179.725 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -40.68 112.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.63 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.25 -79.47 1.45 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 15' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' F' ' 17' ' ' PHE . 20.7 tptt 67.26 -146.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.729 0.299 . . . . 0.0 110.454 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 16' ' ' GLU . . . . . 0.45 ' H ' ' CG ' ' F' ' 15' ' ' LYS . 4.3 tm-20 68.16 -38.95 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' F' ' 17' ' ' PHE . 0.1 OUTLIER -60.18 -29.84 68.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.727 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -52.59 -30.04 29.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.864 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 19' ' ' ARG . . . . . 0.7 HH11 ' HG2' ' F' ' 19' ' ' ARG . 3.7 mtt-85 -75.09 -30.66 60.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.892 0.377 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.428 HG22 ' O ' ' F' ' 17' ' ' PHE . 2.8 tt -61.88 -30.85 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.454 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 21' ' ' VAL . . . . . 0.442 ' CG2' ' CZ ' ' F' ' 17' ' ' PHE . 10.4 t -75.41 -39.71 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.808 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -56.91 -21.27 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.538 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -74.21 -42.54 59.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.061 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.693 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -74.74 -27.88 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.029 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -64.11 -49.94 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.159 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.63 -22.28 64.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.823 0.82 . . . . 0.0 108.942 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.693 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.3 t80 -51.96 -51.54 56.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.615 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.505 HD12 ' N ' ' F' ' 28' ' ' LEU . 9.7 mp -63.33 -27.43 69.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.058 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -68.49 -46.06 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.52 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 30' ' ' ASN . . . . . 0.552 ' C ' ' H ' ' F' ' 32' ' ' VAL . 10.6 p-10 -82.46 -23.23 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.286 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.568 HD13 ' O ' ' F' ' 27' ' ' PHE . 5.6 mp -72.65 27.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.94 0.4 . . . . 0.0 110.298 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 32' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' F' ' 30' ' ' ASN . 35.0 t -108.44 100.47 38.07 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.247 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -80.42 -59.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.345 2.03 . . . . 0.0 112.305 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 48.01 32.01 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.252 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 18.2 m -62.92 -55.02 29.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.712 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 59.35 97.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 pt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.38 -171.41 43.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 15' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' F' ' 17' ' ' PHE . 9.4 mtmp? -141.32 -119.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 110.434 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 54.07 -87.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.548 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.7 OUTLIER -74.09 -43.52 57.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.859 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -52.59 -29.35 25.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.375 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -63.31 -41.54 98.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.63 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.548 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.7 tp -59.96 -30.47 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.031 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 t -73.14 -41.7 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -58.07 -20.55 40.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.364 . . . . 0.0 110.404 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.01 -38.08 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.659 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.4 pt -80.59 -27.59 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.378 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.15 -50.55 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.943 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.22 -22.39 62.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.849 0.833 . . . . 0.0 108.897 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.659 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.9 t80 -51.85 -51.09 59.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.145 -1.388 . . . . 0.0 111.371 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.22 -28.45 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.828 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -36.48 82.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -88.52 -38.92 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.529 HD22 ' CE2' ' F' ' 27' ' ' PHE . 7.1 mp -77.03 -51.16 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 t -116.1 88.13 21.33 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -47.24 -20.16 1.29 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.506 2.137 . . . . 0.0 112.243 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -77.1 134.34 38.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 23.5 m -147.99 83.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.641 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -83.93 119.33 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.466 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 tt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 14' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' F' ' 16' ' ' GLU . . . -161.62 142.18 7.84 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 15' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' F' ' 16' ' ' GLU . 41.8 mttp 36.14 -91.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.635 0.255 . . . . 0.0 110.987 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' F' ' 14' ' ' GLY . 35.4 mm-40 46.16 98.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.467 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.1 OUTLIER -58.23 -29.09 65.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.434 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -63.55 -29.4 70.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.18 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -63.23 -50.26 70.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.482 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.467 HG22 ' O ' ' F' ' 17' ' ' PHE . 4.2 tt -59.68 -30.35 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.57 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 100.0 t -65.69 -43.48 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.03 0.443 . . . . 0.0 110.208 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -64.77 -23.57 67.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.646 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 23' ' ' ARG . . . . . 0.68 ' CG ' HH11 ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.26 -37.61 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.986 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.645 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -76.07 -27.45 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.344 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -65.41 -50.32 65.92 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.547 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.52 -21.59 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.809 0.814 . . . . 0.0 108.83 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.855 ' CD2' HD11 ' F' ' 31' ' ' LEU . 4.2 t80 -51.07 -51.13 56.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.387 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.54 ' N ' HD12 ' F' ' 28' ' ' LEU . 7.8 mp -53.76 -48.41 69.75 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.408 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 29' ' ' ARG . . . . . 0.657 ' CG ' HH11 ' F' ' 29' ' ' ARG . 2.9 mtt-85 -73.89 -34.4 64.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -78.24 -41.33 34.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.354 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.855 HD11 ' CD2' ' F' ' 27' ' ' PHE . 17.0 mt -41.19 -30.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.417 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.86 115.04 14.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.402 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -43.27 117.39 1.01 Allowed 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.237 1.958 . . . . 0.0 112.162 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -96.91 44.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.615 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 19.0 m -66.14 -45.68 80.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.464 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -88.88 147.45 24.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.514 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.538 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 13' ' ' ILE . . . . . 0.428 ' N ' ' NZ ' ' F' ' 15' ' ' LYS . 16.4 pt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.01 -65.62 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 15' ' ' LYS . . . . . 0.467 ' HD3' ' H ' ' F' ' 15' ' ' LYS . 0.1 OUTLIER -53.03 173.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.308 . . . . 0.0 110.451 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -128.69 -5.07 5.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.478 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.2 OUTLIER -74.19 -33.55 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.682 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -53.03 -29.5 29.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.76 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -56.59 -47.54 79.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.695 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.478 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.9 tp -59.58 -30.55 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 15.2 t -70.92 -37.51 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.787 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -59.57 -21.24 60.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.677 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -74.52 -39.25 62.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.386 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.655 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.8 pt -78.03 -27.83 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.776 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.17 -50.19 69.12 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.724 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -68.62 -21.82 64.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.791 0.805 . . . . 0.0 108.939 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.655 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.5 t80 -51.37 -51.66 52.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.631 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.525 HD12 ' N ' ' F' ' 28' ' ' LEU . 8.5 mp -56.06 -41.46 75.12 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.741 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -64.41 -25.76 68.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.674 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -83.45 -32.34 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.783 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.427 HD11 ' CE2' ' F' ' 27' ' ' PHE . 0.2 OUTLIER -133.35 132.36 41.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.785 0.326 . . . . 0.0 110.599 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 4.2 t 42.92 76.31 0.54 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 33' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' F' ' 34' ' ' ARG . 74.4 Cg_endo -79.07 82.8 2.41 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.64 2.227 . . . . 0.0 112.16 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 34' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' F' ' 33' ' ' PRO . 52.2 mtp180 49.8 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.697 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 68.3 p -98.73 -62.78 1.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.521 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -59.39 163.17 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.582 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.579 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 13' ' ' ILE . . . . . 0.574 HG23 ' O ' ' F' ' 13' ' ' ILE . 11.1 tt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 39.4 -102.74 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 15' ' ' LYS . . . . . 0.413 ' CB ' ' NZ ' ' F' ' 15' ' ' LYS . 7.3 mtmp? -89.59 108.24 19.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.728 0.299 . . . . 0.0 110.318 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -139.46 51.31 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.545 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.638 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.1 OUTLIER -57.56 -29.5 64.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.053 0.454 . . . . 0.0 110.326 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -57.77 -28.31 63.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.256 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -54.89 -50.52 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.672 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.638 HG22 ' O ' ' F' ' 17' ' ' PHE . 5.2 tt -63.72 -30.47 50.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.64 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 21' ' ' VAL . . . . . 0.401 ' CG2' ' CZ ' ' F' ' 17' ' ' PHE . 21.6 t -67.82 -36.46 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.39 . . . . 0.0 110.579 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.29 -27.44 65.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 23' ' ' ARG . . . . . 0.684 ' CG ' HH11 ' F' ' 23' ' ' ARG . 0.0 OUTLIER -71.71 -37.48 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.889 -179.848 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.665 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.5 pt -81.21 -27.84 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.503 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -63.21 -50.32 70.74 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.724 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -69.19 -21.94 63.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.782 0.801 . . . . 0.0 108.926 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.665 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -51.4 -51.28 56.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.269 -1.332 . . . . 0.0 111.366 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.611 ' O ' HG13 ' F' ' 32' ' ' VAL . 4.3 mm? -61.18 -42.5 98.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.595 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -58.3 -38.82 77.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -80.96 -40.76 23.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.768 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' F' ' 32' ' ' VAL . 6.8 mp -62.85 -93.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.543 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 32' ' ' VAL . . . . . 0.611 HG13 ' O ' ' F' ' 28' ' ' LEU . 4.8 m 26.68 75.0 0.33 Allowed Pre-proline 0 CA--C 1.529 0.159 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.409 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -72.71 135.22 23.4 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.443 2.095 . . . . 0.0 111.955 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 34' ' ' ARG . . . . . 0.688 ' H ' ' CD ' ' F' ' 34' ' ' ARG . 0.0 OUTLIER -39.3 141.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.844 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 13.5 m -159.4 64.83 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.569 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -157.54 119.6 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.49 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.585 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 66.3 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.21 67.92 0.3 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 15' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' F' ' 17' ' ' PHE . 0.1 OUTLIER 44.0 -152.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 110.629 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 71.84 -32.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.809 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.507 ' H ' ' C ' ' F' ' 15' ' ' LYS . 0.7 OUTLIER -74.35 -38.03 63.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.777 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -52.59 -29.3 25.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.869 0.366 . . . . 0.0 110.506 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -63.62 -46.51 85.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.694 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.44 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.4 tp -59.08 -30.6 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.716 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.89 -37.19 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -69.75 -20.82 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.082 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 23' ' ' ARG . . . . . 0.672 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -72.77 -38.31 67.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.444 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.646 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.7 pt -76.8 -27.67 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.96 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -66.1 -49.92 65.86 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.032 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 26' ' ' ASP . . . . . 0.537 ' OD2' ' NH2' ' F' ' 29' ' ' ARG . 5.3 m-20 -67.77 -22.17 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.85 0.833 . . . . 0.0 108.948 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.646 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.8 t80 -51.5 -51.35 55.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.663 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.492 HD22 ' N ' ' F' ' 28' ' ' LEU . 3.9 mm? -58.63 -39.85 81.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.924 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 29' ' ' ARG . . . . . 0.537 ' NH2' ' OD2' ' F' ' 26' ' ' ASP . 2.5 ttm180 -65.24 -36.1 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.705 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -82.56 -32.66 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.578 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.478 HD22 ' CE2' ' F' ' 27' ' ' PHE . 6.9 mp -89.37 75.32 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 32' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' F' ' 29' ' ' ARG . 0.0 OUTLIER -151.91 157.15 34.42 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 33' ' ' PRO . . . . . 0.459 ' O ' ' O ' ' F' ' 34' ' ' ARG . 52.2 Cg_endo -70.04 80.51 0.96 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 34' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' F' ' 33' ' ' PRO . 31.7 mtm180 40.85 99.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 35' ' ' THR . . . . . 0.4 HG23 ' H ' ' F' ' 35' ' ' THR . 1.6 p -76.33 40.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.39 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 36' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' F' ' 34' ' ' ARG . 19.8 pt-20 -41.41 127.64 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.722 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.533 -179.906 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 9.1 pt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.66 -0.02 55.39 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -162.84 128.45 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.534 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -52.07 135.78 30.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.668 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.6 OUTLIER -70.92 -38.97 72.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.44 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -53.58 -28.21 30.79 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.644 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -55.13 -49.88 70.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.616 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.668 HG22 ' O ' ' F' ' 17' ' ' PHE . 4.9 tt -66.22 -30.62 50.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.653 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 21' ' ' VAL . . . . . 0.434 ' CG2' ' CZ ' ' F' ' 17' ' ' PHE . 60.0 t -65.07 -42.44 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.978 0.418 . . . . 0.0 110.347 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -68.01 -22.2 65.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 23' ' ' ARG . . . . . 0.59 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.38 -38.37 63.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.655 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -74.52 -27.47 21.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.312 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -67.05 -50.17 62.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.307 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.96 -21.39 65.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.813 0.816 . . . . 0.0 108.804 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.655 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.5 t80 -50.88 -51.91 46.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.132 -1.394 . . . . 0.0 111.536 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.525 HD12 ' N ' ' F' ' 28' ' ' LEU . 8.1 mp -53.1 -32.88 49.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -71.66 -25.45 62.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.432 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.18 -41.36 17.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' F' ' 27' ' ' PHE . 10.0 mt -63.33 -127.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.583 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.98 78.67 11.39 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.763 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -49.7 175.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.598 2.198 . . . . 0.0 112.094 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -173.36 142.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.451 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 44.3 p -75.73 -105.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.591 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 40.87 56.97 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.717 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.95 166.82 11.54 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -73.83 173.21 10.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 0.0 110.535 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 16' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' F' ' 16' ' ' GLU . 11.8 pm0 -137.23 55.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.375 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.51 ' O ' HG22 ' F' ' 20' ' ' ILE . 1.0 OUTLIER -73.92 -34.77 64.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -62.5 -29.58 70.65 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.806 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 19' ' ' ARG . . . . . 0.649 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER -61.15 -50.1 74.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.747 -179.089 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.51 HG22 ' O ' ' F' ' 17' ' ' PHE . 3.6 tt -60.05 -30.69 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.862 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.89 -35.34 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.936 0.398 . . . . 0.0 110.259 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -66.07 -26.3 67.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -74.19 -50.84 17.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.32 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.647 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 1.9 pp -65.97 -27.07 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.428 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.96 -50.36 62.56 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.606 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 26' ' ' ASP . . . . . 0.431 ' OD2' ' ND2' ' F' ' 30' ' ' ASN . 23.6 t70 -68.77 -21.45 64.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.909 0.861 . . . . 0.0 108.711 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.647 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -50.92 -51.54 51.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.639 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.506 HD22 ' N ' ' F' ' 28' ' ' LEU . 3.9 mm? -59.22 -34.29 72.0 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.713 -178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -73.07 -39.52 65.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.773 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 30' ' ' ASN . . . . . 0.431 ' ND2' ' OD2' ' F' ' 26' ' ' ASP . 76.0 m-20 -75.39 -41.24 56.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.889 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mp -50.06 -52.42 34.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 25.8 t -67.71 132.2 92.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.012 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.15 -95.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.19 1.926 . . . . 0.0 112.042 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -149.11 34.68 0.74 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 30.1 p -88.03 -12.57 43.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.491 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -172.99 -168.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 13' ' ' ILE . . . . . 0.722 ' N ' HD12 ' F' ' 13' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 14' ' ' GLY . . . . . 0.5 ' N ' HG22 ' F' ' 13' ' ' ILE . . . -149.2 11.65 1.04 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -73.02 87.04 1.34 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.831 0.348 . . . . 0.0 110.419 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -177.25 -45.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.499 ' O ' HG22 ' F' ' 20' ' ' ILE . 2.3 t80 -74.3 -45.68 45.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -52.6 -29.65 26.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.58 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.13 -28.58 67.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.286 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.499 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.3 tp -73.52 -30.33 29.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.64 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.36 -42.73 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.692 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -66.83 -22.02 66.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.508 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 23' ' ' ARG . . . . . 0.461 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.47 -35.5 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.679 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -78.78 -27.9 13.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.531 -0.467 . . . . 0.0 111.417 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -63.73 -50.3 69.65 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.61 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.36 -21.84 63.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.815 0.817 . . . . 0.0 108.868 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.679 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.2 t80 -51.66 -50.99 59.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.668 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.464 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.3 mm? -52.27 -34.27 45.7 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.682 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 29' ' ' ARG . . . . . 0.661 ' CG ' HH11 ' F' ' 29' ' ' ARG . 0.0 OUTLIER -71.59 -25.3 62.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.066 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -82.14 -41.47 20.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' F' ' 27' ' ' PHE . 9.3 mt -68.3 148.59 50.54 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.464 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 32' ' ' VAL . . . . . 0.653 HG13 ' O ' ' F' ' 32' ' ' VAL . 7.1 p -37.65 102.39 0.24 Allowed Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -82.72 -95.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.4 2.067 . . . . 0.0 112.065 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 34' ' ' ARG . . . . . 0.515 ' NE ' ' O ' ' F' ' 34' ' ' ARG . 0.0 OUTLIER -171.65 44.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.289 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 7.2 m 46.86 70.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 36' ' ' GLU . . . . . 0.488 ' OE2' ' NH2' ' F' ' 29' ' ' ARG . 61.0 mt-10 -64.42 -106.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 49.0 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.585 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 134.38 169.55 12.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -111.14 -43.25 3.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.798 0.333 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -162.99 162.26 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.432 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.1 OUTLIER -53.84 -34.23 58.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.545 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -53.09 -29.31 29.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.676 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -55.57 -37.47 68.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.432 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.8 tp -68.31 -33.57 61.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 0.0 110.37 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -79.4 -38.94 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.368 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -54.38 -25.87 26.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.118 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 23' ' ' ARG . . . . . 0.442 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.38 -44.51 51.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.578 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.692 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.3 pt -81.44 -28.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.381 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -59.67 -50.48 73.68 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.161 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.27 -22.54 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.799 0.809 . . . . 0.0 108.933 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.692 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 6.0 t80 -52.05 -51.45 57.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.49 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.423 ' N ' HD22 ' F' ' 28' ' ' LEU . 4.3 mm? -58.86 -46.79 86.93 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.449 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 29' ' ' ARG . . . . . 0.662 HH11 ' CG ' ' F' ' 29' ' ' ARG . 0.3 OUTLIER -60.16 -36.71 78.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.347 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -77.76 -40.15 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.288 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -77.89 163.05 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.181 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 t -143.58 72.45 17.44 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.34 -58.68 1.03 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.768 2.312 . . . . 0.0 111.899 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 34' ' ' ARG . . . . . 0.656 ' CG ' HH11 ' F' ' 34' ' ' ARG . 0.0 OUTLIER 54.29 -152.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.459 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 5.2 m -132.82 53.84 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.507 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.92 -32.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.56 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 13' ' ' ILE . . . . . 0.478 HG23 ' N ' ' F' ' 14' ' ' GLY . 9.4 tt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 14' ' ' GLY . . . . . 0.478 ' N ' HG23 ' F' ' 13' ' ' ILE . . . -70.76 169.88 47.43 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 15' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' F' ' 16' ' ' GLU . 18.2 pttp -158.96 -43.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.319 . . . . 0.0 110.568 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 16' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' F' ' 15' ' ' LYS . 68.5 mm-40 55.4 163.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.663 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.475 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.1 OUTLIER -74.45 -29.67 61.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.923 -179.705 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -53.16 -29.92 34.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.319 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 19' ' ' ARG . . . . . 0.738 HH22 ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -58.37 -43.42 88.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.892 -179.797 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.475 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.9 tp -59.1 -30.83 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.532 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 t -79.19 -48.48 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.405 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -54.79 -20.62 8.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.977 0.418 . . . . 0.0 109.95 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 23' ' ' ARG . . . . . 0.738 ' HE ' HH22 ' F' ' 19' ' ' ARG . 10.0 mmt180 -74.06 -43.88 56.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.453 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.653 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.4 pt -77.23 -27.48 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.984 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -49.88 64.85 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.894 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.98 -21.67 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.771 0.796 . . . . 0.0 108.869 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.653 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.6 t80 -50.8 -51.4 51.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.441 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.547 ' N ' HD12 ' F' ' 28' ' ' LEU . 8.5 mp -60.82 -31.79 71.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.59 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -73.05 -36.35 66.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 30' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' F' ' 32' ' ' VAL . 8.2 m-20 -80.91 -41.76 22.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.887 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.34 68.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.082 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 32' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' F' ' 34' ' ' ARG . 35.0 m -81.49 149.96 65.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.672 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 33' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' F' ' 34' ' ' ARG . 87.1 Cg_exo -41.31 -17.45 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.481 2.121 . . . . 0.0 112.141 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 34' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' F' ' 32' ' ' VAL . 23.2 ttp180 76.24 169.14 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.499 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 35' ' ' THR . . . . . 0.558 ' O ' HG22 ' F' ' 35' ' ' THR . 28.1 m 59.85 8.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.573 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.96 126.65 28.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.489 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.547 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.78 16.96 2.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -162.76 108.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -75.69 65.5 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.699 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.411 ' O ' ' CG2' ' F' ' 20' ' ' ILE . 0.5 OUTLIER -73.31 -30.73 63.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.43 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -67.22 -29.29 68.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.59 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 19' ' ' ARG . . . . . 0.672 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER -66.35 -49.91 65.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.463 -179.244 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.411 ' CG2' ' O ' ' F' ' 17' ' ' PHE . 3.9 tt -59.29 -30.82 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.056 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 81.0 t -73.44 -48.78 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.618 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -20.81 7.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -74.4 -47.52 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.672 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.9 pt -67.54 -27.19 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.421 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -50.51 68.71 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.806 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 26' ' ' ASP . . . . . 0.54 ' OD1' ' ND2' ' F' ' 30' ' ' ASN . 9.6 t70 -70.68 -22.25 62.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.879 0.847 . . . . 0.0 108.846 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.672 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.9 t80 -51.4 -51.13 57.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.028 -1.442 . . . . 0.0 111.313 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.72 -27.68 69.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.934 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -71.56 -37.01 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 30' ' ' ASN . . . . . 0.54 ' ND2' ' OD1' ' F' ' 26' ' ' ASP . 39.9 m-20 -87.17 -41.35 13.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.03 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.469 HD13 ' O ' ' F' ' 27' ' ' PHE . 5.3 mp -49.28 149.34 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.565 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 32' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' F' ' 34' ' ' ARG . 35.0 m -40.21 146.84 0.39 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -40.58 83.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.634 2.223 . . . . 0.0 112.382 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 34' ' ' ARG . . . . . 0.67 ' CG ' HH11 ' F' ' 34' ' ' ARG . 0.0 OUTLIER -150.1 86.63 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.254 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 9.7 m -57.62 -68.81 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.469 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -175.54 153.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 tp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.64 -68.13 0.16 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -110.05 57.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 110.353 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 16' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' F' ' 17' ' ' PHE . 11.5 tt0 -144.59 179.54 7.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.154 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.46 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.3 OUTLIER -73.72 -33.59 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.673 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -53.04 -29.79 31.87 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.582 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -57.47 -49.04 77.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.73 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.46 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.6 tp -59.23 -30.46 43.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.36 -37.86 79.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.713 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -73.17 -22.77 60.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.644 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -74.23 -30.88 62.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.692 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.1 pt -81.21 -28.01 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.734 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -59.69 -50.95 71.84 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.365 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 26' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' F' ' 26' ' ' ASP . 20.8 t0 -70.99 -22.74 62.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.811 0.815 . . . . 0.0 108.863 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.692 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -52.23 -51.34 58.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.722 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.433 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.4 mm? -56.41 -27.91 57.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.589 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 29' ' ' ARG . . . . . 0.678 HH11 ' CG ' ' F' ' 29' ' ' ARG . 0.0 OUTLIER -64.45 -40.99 96.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.419 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -78.37 -38.06 42.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.467 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' F' ' 32' ' ' VAL . 10.9 mp -78.05 57.37 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.468 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 32' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' F' ' 31' ' ' LEU . 2.6 m -29.74 94.99 0.07 OUTLIER Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.187 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 33' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' F' ' 31' ' ' LEU . 94.8 Cg_endo -85.74 -164.87 0.25 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.687 2.258 . . . . 0.0 112.22 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -162.96 32.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.509 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -174.63 27.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 45.0 36.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.552 -179.861 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.26 -57.99 1.42 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 15' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' F' ' 16' ' ' GLU . 10.2 mtpm? -47.79 -73.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.54 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 16' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' F' ' 15' ' ' LYS . 19.9 tp10 52.12 102.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.464 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.1 OUTLIER -74.36 -34.22 63.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.597 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.73 -30.17 42.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.294 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -65.24 -28.43 69.35 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.056 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.464 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.4 tp -70.52 -30.48 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.348 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 t -77.39 -40.85 29.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -54.8 -21.4 11.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.48 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -74.12 -40.94 62.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.719 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.8 pt -81.32 -28.08 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.336 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -58.47 -50.54 73.35 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.211 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -72.18 -23.07 61.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.791 0.805 . . . . 0.0 108.928 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.719 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.3 t80 -52.6 -51.27 60.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.428 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.441 ' O ' HG12 ' F' ' 32' ' ' VAL . 9.9 mp -66.08 -29.11 69.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.927 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -67.07 -30.65 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 30' ' ' ASN . . . . . 0.51 ' C ' ' H ' ' F' ' 32' ' ' VAL . 28.2 t-20 -96.32 -39.51 9.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.23 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.475 HD13 ' O ' ' F' ' 27' ' ' PHE . 5.7 mp -57.68 -0.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.17 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 32' ' ' VAL . . . . . 0.563 ' O ' HG22 ' F' ' 32' ' ' VAL . 2.2 p -165.44 83.14 1.1 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.411 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -83.24 -165.71 0.34 Allowed 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.712 2.275 . . . . 0.0 111.967 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -48.69 121.35 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -54.88 -28.5 50.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.661 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 36' ' ' GLU . . . . . 0.492 ' CD ' ' H ' ' F' ' 36' ' ' GLU . 6.3 mp0 -53.35 119.66 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.629 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 14' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' F' ' 15' ' ' LYS . . . 160.28 115.62 0.39 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 15' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' F' ' 17' ' ' PHE . 15.6 mttp 43.48 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.64 0.257 . . . . 0.0 110.663 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' F' ' 15' ' ' LYS . 8.4 pt-20 32.6 33.23 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.096 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.538 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.1 OUTLIER -70.06 -29.85 66.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.655 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' F' F ' 18' ' ' LYS . . . . . 0.522 ' O ' ' NE2' ' F' ' 22' ' ' GLN . 48.0 mtpt -52.4 -29.58 24.92 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.542 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 19' ' ' ARG . . . . . 0.682 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER -58.95 -42.12 89.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.425 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.538 HG22 ' O ' ' F' ' 17' ' ' PHE . 6.4 tt -59.65 -30.83 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 t -73.6 -39.14 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.855 0.36 . . . . 0.0 110.641 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 22' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' F' ' 18' ' ' LYS . 1.9 mp0 -63.26 -21.11 66.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.431 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -74.37 -41.18 61.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.657 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -74.92 -27.4 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.322 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -66.48 -50.04 64.6 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.268 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.55 -21.69 65.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.86 0.838 . . . . 0.0 108.767 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.657 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.9 t80 -51.23 -51.12 56.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.584 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.54 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.0 mm? -55.78 -44.38 77.7 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.356 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.12 -40.64 90.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.428 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -75.43 -39.5 58.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.66 -60.84 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 16.1 m -116.43 129.98 24.84 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.437 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.51 -62.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.265 1.976 . . . . 0.0 112.181 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -170.64 79.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.602 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 35' ' ' THR . . . . . 0.43 ' C ' ' H ' ' F' ' 37' ' ' SER . 10.1 t -104.94 -17.88 14.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -77.67 29.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.622 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 37' ' ' SER . . . . . 0.43 ' H ' ' C ' ' F' ' 35' ' ' THR . 16.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 tt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.13 -59.08 0.1 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -88.31 -148.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.472 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -165.79 107.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.399 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 17' ' ' PHE . . . . . 0.401 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.0 OUTLIER -74.07 -29.44 61.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.026 -179.603 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' F' F ' 18' ' ' LYS . . . . . 0.539 ' O ' ' NE2' ' F' ' 22' ' ' GLN . 80.2 mttt -52.82 -31.5 39.21 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.153 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -76.47 -33.56 58.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.173 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 20' ' ' ILE . . . . . 0.401 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.1 tp -59.53 -30.5 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.577 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.39 -35.05 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 22' ' ' GLN . . . . . 0.539 ' NE2' ' O ' ' F' ' 18' ' ' LYS . 2.6 mp0 -75.55 -20.57 58.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 23' ' ' ARG . . . . . 0.422 ' O ' ' OD1' ' F' ' 26' ' ' ASP . 1.5 mmt180 -72.94 -30.72 64.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 24' ' ' ILE . . . . . 0.621 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.1 pt -77.49 -27.34 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.62 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -65.66 -50.41 65.06 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.722 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 26' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' F' ' 23' ' ' ARG . 12.9 p-10 -67.94 -21.74 65.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.837 0.827 . . . . 0.0 108.8 178.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 27' ' ' PHE . . . . . 0.621 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.0 t80 -51.02 -50.9 57.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.511 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 28' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' F' ' 32' ' ' VAL . 8.8 mp -56.55 -30.05 62.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.043 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 29' ' ' ARG . . . . . 0.702 HH11 ' HG3' ' F' ' 29' ' ' ARG . 0.6 OUTLIER -61.28 -46.3 90.92 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.547 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -76.74 -37.17 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 31' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' F' ' 32' ' ' VAL . 10.3 mp -79.98 -13.31 59.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.358 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 32' ' ' VAL . . . . . 0.767 HG13 ' O ' ' F' ' 32' ' ' VAL . 8.6 p 22.38 66.89 0.33 Allowed Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.444 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.93 179.31 5.33 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.005 2.47 . . . . 0.0 112.064 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 34' ' ' ARG . . . . . 0.496 ' C ' ' H ' ' F' ' 36' ' ' GLU . 48.1 mtp180 -87.9 117.05 26.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.458 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 35' ' ' THR . . . . . 0.476 ' C ' ' H ' ' F' ' 37' ' ' SER . 23.9 p -74.33 28.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 36' ' ' GLU . . . . . 0.496 ' H ' ' C ' ' F' ' 34' ' ' ARG . 9.0 mm-40 52.77 8.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 37' ' ' SER . . . . . 0.476 ' H ' ' C ' ' F' ' 35' ' ' THR . 8.6 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 3.3 tt -62.99 -30.84 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.792 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 19.0 t -69.3 -42.08 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.44 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.92 -20.76 9.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.269 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -74.34 -38.13 63.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.201 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.702 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -81.2 -28.38 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.756 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -54.86 -50.67 68.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.443 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -74.84 -23.48 58.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.768 0.794 . . . . 0.0 109.014 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.702 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 10.1 t80 -53.59 -50.27 65.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.307 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' F' ' 28' ' ' LEU . 4.5 mm? -53.8 -31.36 48.7 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.457 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . 0.672 HH11 ' CG ' ' F' ' 29' ' ' ARG . 0.0 OUTLIER -73.24 -28.21 62.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.459 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -76.4 -41.16 48.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.614 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' F' ' 27' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.386 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.657 0.265 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.41 -30.12 49.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.576 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 5.6 t -68.77 -38.94 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.993 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -62.99 -21.86 66.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . 0.409 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.46 -33.48 62.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.442 -179.689 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.681 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -81.11 -28.12 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.658 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -60.87 -50.8 71.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.956 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.21 -22.34 62.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.812 0.815 . . . . 0.0 108.906 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.681 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.0 t80 -51.9 -51.1 59.24 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.558 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.48 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.4 mm? -52.54 -33.32 44.99 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.334 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . 0.455 ' HA ' ' HE ' ' F' ' 29' ' ' ARG . 0.7 OUTLIER -73.39 -25.6 60.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.387 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -81.48 -41.39 21.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.194 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' F' ' 27' ' ' PHE . 10.2 mt . . . . . 0 C--N 1.33 -0.241 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.674 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . 0.654 HH21 ' NE2' ' F' ' 22' ' ' GLN . 6.6 tpm_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.653 0.263 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 tt -59.77 -30.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.107 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.21 -49.07 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . 0.654 ' NE2' HH21 ' F' ' 19' ' ' ARG . 17.8 mt-30 -65.26 -21.91 66.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.513 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . 0.661 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.57 -38.78 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.231 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.675 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.9 pt -72.13 -27.62 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.466 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -63.42 -50.68 68.84 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.503 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . 0.493 ' CG ' HD21 ' F' ' 30' ' ' ASN . 30.6 t0 -69.4 -22.16 63.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.839 0.828 . . . . 0.0 109.0 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.675 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.6 t80 -51.39 -51.52 53.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.193 -1.367 . . . . 0.0 111.472 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.433 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.1 mm? -57.25 -41.69 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.39 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -72.98 -25.95 61.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.484 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . 0.493 HD21 ' CG ' ' F' ' 26' ' ' ASP . 64.6 m-80 -85.84 -41.2 15.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.006 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' F' ' 27' ' ' PHE . 7.8 mp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.599 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . 0.665 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.656 0.265 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 2.1 tp -70.42 -30.87 44.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.543 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 t -79.26 -38.66 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.393 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.61 -20.74 66.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.077 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . 0.408 ' O ' ' OD1' ' F' ' 26' ' ' ASP . 22.0 mmt180 -73.3 -36.16 66.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.662 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -80.88 -27.61 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.316 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -65.54 -49.65 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.252 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . 0.531 ' O ' ' ND2' ' F' ' 30' ' ' ASN . 9.8 p-10 -68.84 -21.35 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.77 0.795 . . . . 0.0 108.938 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.662 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.8 t80 -51.1 -51.75 50.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.58 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.601 HD12 ' H ' ' F' ' 28' ' ' LEU . 2.7 mp -66.62 -30.85 71.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.772 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -73.37 -25.85 60.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' F' ' 26' ' ' ASP . 56.5 m-20 -94.83 -37.49 11.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.473 HD13 ' O ' ' F' ' 27' ' ' PHE . 7.2 mp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.531 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . 0.7 HH11 ' HG2' ' F' ' 19' ' ' ARG . 3.7 mtt-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.892 0.377 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -61.88 -30.85 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.454 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 t -75.41 -39.71 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.808 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -56.91 -21.27 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.538 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -74.21 -42.54 59.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.061 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.693 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -74.74 -27.88 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.029 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -64.11 -49.94 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.159 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.63 -22.28 64.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.823 0.82 . . . . 0.0 108.942 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.693 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.3 t80 -51.96 -51.54 56.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.615 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.505 HD12 ' N ' ' F' ' 28' ' ' LEU . 9.7 mp -63.33 -27.43 69.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.058 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -68.49 -46.06 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.52 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . 0.482 ' OD1' ' O ' ' F' ' 27' ' ' PHE . 10.6 p-10 -82.46 -23.23 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.286 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.568 HD13 ' O ' ' F' ' 27' ' ' PHE . 5.6 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.94 0.4 . . . . 0.0 110.298 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . 0.498 HH11 ' NE2' ' F' ' 22' ' ' GLN . 9.1 tpt180 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.862 0.363 . . . . 0.0 110.63 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 tp -59.96 -30.47 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.031 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 t -73.14 -41.7 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . 0.498 ' NE2' HH11 ' F' ' 19' ' ' ARG . 25.0 mt-30 -58.07 -20.55 40.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.364 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.01 -38.08 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.659 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.4 pt -80.59 -27.59 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.378 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.15 -50.55 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.943 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.22 -22.39 62.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.849 0.833 . . . . 0.0 108.897 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.659 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.9 t80 -51.85 -51.09 59.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.145 -1.388 . . . . 0.0 111.371 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.22 -28.45 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.828 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -36.48 82.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -88.52 -38.92 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.529 HD22 ' CE2' ' F' ' 27' ' ' PHE . 7.1 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 111.482 0.178 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . 0.409 ' H ' HG22 ' F' ' 20' ' ' ILE . 4.2 tt -59.68 -30.35 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.57 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 100.0 t -65.69 -43.48 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.03 0.443 . . . . 0.0 110.208 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -64.77 -23.57 67.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.646 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . 0.68 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.26 -37.61 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.986 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.645 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -76.07 -27.45 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.344 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -65.41 -50.32 65.92 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.547 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.52 -21.59 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.809 0.814 . . . . 0.0 108.83 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.855 ' CD2' HD11 ' F' ' 31' ' ' LEU . 4.2 t80 -51.07 -51.13 56.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.387 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.54 HD12 ' N ' ' F' ' 28' ' ' LEU . 7.8 mp -53.76 -48.41 69.75 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.408 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . 0.657 HH11 ' CG ' ' F' ' 29' ' ' ARG . 2.9 mtt-85 -73.89 -34.4 64.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -78.24 -41.33 34.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.354 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.855 HD11 ' CD2' ' F' ' 27' ' ' PHE . 17.0 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.417 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 tp -59.58 -30.55 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 15.2 t -70.92 -37.51 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.787 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -59.57 -21.24 60.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.677 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -74.52 -39.25 62.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.386 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.655 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.8 pt -78.03 -27.83 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.776 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.17 -50.19 69.12 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.724 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -68.62 -21.82 64.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.791 0.805 . . . . 0.0 108.939 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.655 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.5 t80 -51.37 -51.66 52.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.631 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.525 HD12 ' N ' ' F' ' 28' ' ' LEU . 8.5 mp -56.06 -41.46 75.12 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.741 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -64.41 -25.76 68.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.674 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -83.45 -32.34 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.783 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.427 HD11 ' CE2' ' F' ' 27' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.198 0 CA-C-O 120.785 0.326 . . . . 0.0 110.599 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 5.2 tt -63.72 -30.47 50.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.64 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.82 -36.46 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.39 . . . . 0.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.29 -27.44 65.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . 0.684 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -71.71 -37.48 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.889 -179.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.665 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.5 pt -81.21 -27.84 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.503 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -63.21 -50.32 70.74 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.724 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -69.19 -21.94 63.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.782 0.801 . . . . 0.0 108.926 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.665 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -51.4 -51.28 56.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.269 -1.332 . . . . 0.0 111.366 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.453 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.3 mm? -61.18 -42.5 98.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.595 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -58.3 -38.82 77.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -80.96 -40.76 23.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.768 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.453 HD13 ' O ' ' F' ' 27' ' ' PHE . 6.8 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.543 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.765 0.317 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 tp -59.08 -30.6 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.716 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.89 -37.19 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -69.75 -20.82 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.082 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . 0.672 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -72.77 -38.31 67.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.444 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.646 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.7 pt -76.8 -27.67 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.96 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -66.1 -49.92 65.86 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.032 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . 0.537 ' OD2' ' NH2' ' F' ' 29' ' ' ARG . 5.3 m-20 -67.77 -22.17 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.85 0.833 . . . . 0.0 108.948 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.646 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.8 t80 -51.5 -51.35 55.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.663 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.492 HD22 ' N ' ' F' ' 28' ' ' LEU . 3.9 mm? -58.63 -39.85 81.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.924 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . 0.537 ' NH2' ' OD2' ' F' ' 26' ' ' ASP . 2.5 ttm180 -65.24 -36.1 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.705 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -82.56 -32.66 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.578 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.478 HD22 ' CE2' ' F' ' 27' ' ' PHE . 6.9 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 4.9 tt -66.22 -30.62 50.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.653 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.07 -42.44 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.978 0.418 . . . . 0.0 110.347 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -68.01 -22.2 65.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . 0.59 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.38 -38.37 63.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.655 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -74.52 -27.47 21.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.312 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -67.05 -50.17 62.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.307 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.96 -21.39 65.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.813 0.816 . . . . 0.0 108.804 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.655 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.5 t80 -50.88 -51.91 46.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.132 -1.394 . . . . 0.0 111.536 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.525 HD12 ' N ' ' F' ' 28' ' ' LEU . 8.1 mp -53.1 -32.88 49.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -71.66 -25.45 62.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.432 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.18 -41.36 17.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' F' ' 27' ' ' PHE . 10.0 mt . . . . . 0 C--N 1.33 -0.264 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.583 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . 0.649 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . 0.402 HG22 ' H ' ' F' ' 20' ' ' ILE . 3.6 tt -60.05 -30.69 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.862 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.89 -35.34 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.936 0.398 . . . . 0.0 110.259 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -66.07 -26.3 67.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -74.19 -50.84 17.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.32 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.647 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 1.9 pp -65.97 -27.07 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.428 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.96 -50.36 62.56 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.606 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . 0.431 ' OD2' ' ND2' ' F' ' 30' ' ' ASN . 23.6 t70 -68.77 -21.45 64.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.909 0.861 . . . . 0.0 108.711 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.647 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -50.92 -51.54 51.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.639 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.506 HD22 ' N ' ' F' ' 28' ' ' LEU . 3.9 mm? -59.22 -34.29 72.0 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.713 -178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -73.07 -39.52 65.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.773 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . 0.431 ' ND2' ' OD2' ' F' ' 26' ' ' ASP . 76.0 m-20 -75.39 -41.24 56.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.889 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.754 0.311 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 tp -73.52 -30.33 29.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.64 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.36 -42.73 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.692 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -66.83 -22.02 66.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.508 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . 0.461 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.47 -35.5 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.679 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -78.78 -27.9 13.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.531 -0.467 . . . . 0.0 111.417 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -63.73 -50.3 69.65 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.61 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.36 -21.84 63.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.815 0.817 . . . . 0.0 108.868 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.679 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.2 t80 -51.66 -50.99 59.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.668 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.464 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.3 mm? -52.27 -34.27 45.7 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.682 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . 0.661 HH11 ' CG ' ' F' ' 29' ' ' ARG . 0.0 OUTLIER -71.59 -25.3 62.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.066 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -82.14 -41.47 20.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' F' ' 27' ' ' PHE . 9.3 mt . . . . . 0 C--N 1.331 -0.233 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.464 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.687 0.28 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.8 tp -68.31 -33.57 61.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 0.0 110.37 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -79.4 -38.94 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.368 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.38 -25.87 26.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.118 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . 0.442 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.38 -44.51 51.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.578 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.692 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.3 pt -81.44 -28.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.381 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -59.67 -50.48 73.68 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.161 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.27 -22.54 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.799 0.809 . . . . 0.0 108.933 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.692 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 6.0 t80 -52.05 -51.45 57.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.49 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.423 ' N ' HD22 ' F' ' 28' ' ' LEU . 4.3 mm? -58.86 -46.79 86.93 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.449 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . 0.662 HH11 ' CG ' ' F' ' 29' ' ' ARG . 0.3 OUTLIER -60.16 -36.71 78.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.347 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -77.76 -40.15 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.288 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.181 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . 0.738 HH22 ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.589 0.233 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 tp -59.1 -30.83 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.532 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 t -79.19 -48.48 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.405 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . 0.513 ' CA ' HE21 ' F' ' 22' ' ' GLN . 0.0 OUTLIER -54.79 -20.62 8.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.977 0.418 . . . . 0.0 109.95 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . 0.738 ' HE ' HH22 ' F' ' 19' ' ' ARG . 10.0 mmt180 -74.06 -43.88 56.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.453 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.653 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.4 pt -77.23 -27.48 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.984 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -49.88 64.85 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.894 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.98 -21.67 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.771 0.796 . . . . 0.0 108.869 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.653 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.6 t80 -50.8 -51.4 51.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.441 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.547 HD12 ' N ' ' F' ' 28' ' ' LEU . 8.5 mp -60.82 -31.79 71.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.59 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -73.05 -36.35 66.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -80.91 -41.76 22.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.887 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.082 -179.872 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . 0.672 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.559 0.219 . . . . 0.0 111.463 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -59.29 -30.82 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.056 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 81.0 t -73.44 -48.78 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.618 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -20.81 7.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -74.4 -47.52 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.672 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.9 pt -67.54 -27.19 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.421 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -50.51 68.71 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.806 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . 0.54 ' OD1' ' ND2' ' F' ' 30' ' ' ASN . 9.6 t70 -70.68 -22.25 62.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.879 0.847 . . . . 0.0 108.846 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.672 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.9 t80 -51.4 -51.13 57.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.028 -1.442 . . . . 0.0 111.313 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.72 -27.68 69.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.934 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -71.56 -37.01 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . 0.54 ' ND2' ' OD1' ' F' ' 26' ' ' ASP . 39.9 m-20 -87.17 -41.35 13.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.03 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.469 HD13 ' O ' ' F' ' 27' ' ' PHE . 5.3 mp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.565 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.771 0.32 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 tp -59.23 -30.46 43.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.36 -37.86 79.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.713 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -73.17 -22.77 60.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.644 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -74.23 -30.88 62.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.692 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.1 pt -81.21 -28.01 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.734 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -59.69 -50.95 71.84 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.365 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' F' ' 26' ' ' ASP . 20.8 t0 -70.99 -22.74 62.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.811 0.815 . . . . 0.0 108.863 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.692 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -52.23 -51.34 58.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.722 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.433 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.4 mm? -56.41 -27.91 57.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.589 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . 0.678 HH11 ' CG ' ' F' ' 29' ' ' ARG . 0.0 OUTLIER -64.45 -40.99 96.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.419 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -78.37 -38.06 42.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.467 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.446 HD12 ' N ' ' F' ' 31' ' ' LEU . 10.9 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.468 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.628 0.251 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 tp -70.52 -30.48 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.348 . . . . 0.0 110.367 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 t -77.39 -40.85 29.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -54.8 -21.4 11.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.48 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -74.12 -40.94 62.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.719 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.8 pt -81.32 -28.08 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.336 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -58.47 -50.54 73.35 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.211 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -72.18 -23.07 61.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.791 0.805 . . . . 0.0 108.928 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.719 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.3 t80 -52.6 -51.27 60.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.428 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.408 ' N ' HD12 ' F' ' 28' ' ' LEU . 9.9 mp -66.08 -29.11 69.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.927 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -67.07 -30.65 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -96.32 -39.51 9.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.23 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . 0.475 HD13 ' O ' ' F' ' 27' ' ' PHE . 5.7 mp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.17 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . 0.682 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.819 0.342 . . . . 0.0 110.425 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 6.4 tt -59.65 -30.83 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 t -73.6 -39.14 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.855 0.36 . . . . 0.0 110.641 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -63.26 -21.11 66.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.431 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -74.37 -41.18 61.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.657 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -74.92 -27.4 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.322 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -66.48 -50.04 64.6 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.268 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.55 -21.69 65.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.86 0.838 . . . . 0.0 108.767 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.657 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.9 t80 -51.23 -51.12 56.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.584 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.54 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.0 mm? -55.78 -44.38 77.7 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.356 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.12 -40.64 90.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.428 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -75.43 -39.5 58.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.633 0.254 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tp -59.53 -30.5 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.577 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.39 -35.05 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.55 -20.57 58.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 23' ' ' ARG . . . . . 0.422 ' O ' ' OD1' ' F' ' 26' ' ' ASP . 1.5 mmt180 -72.94 -30.72 64.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 24' ' ' ILE . . . . . 0.621 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.1 pt -77.49 -27.34 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.62 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -65.66 -50.41 65.06 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.722 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 26' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' F' ' 23' ' ' ARG . 12.9 p-10 -67.94 -21.74 65.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.837 0.827 . . . . 0.0 108.8 178.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 27' ' ' PHE . . . . . 0.621 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.0 t80 -51.02 -50.9 57.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.511 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 28' ' ' LEU . . . . . 0.517 HD12 ' N ' ' F' ' 28' ' ' LEU . 8.8 mp -56.55 -30.05 62.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.043 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 29' ' ' ARG . . . . . 0.702 ' HG3' HH11 ' F' ' 29' ' ' ARG . 0.6 OUTLIER -61.28 -46.3 90.92 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.547 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -76.74 -37.17 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.358 179.888 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 16.1 mm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.59 133.59 3.49 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -74.25 116.6 15.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.592 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -147.9 -67.49 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.372 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.515 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.2 OUTLIER -74.07 -30.2 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.398 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -28.62 70.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -55.45 -50.3 70.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.574 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.515 HG22 ' O ' ' F' ' 17' ' ' PHE . 3.3 tt -62.99 -30.84 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.792 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 19.0 t -69.3 -42.08 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.44 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.92 -20.76 9.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.269 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -74.34 -38.13 63.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.201 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.702 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -81.2 -28.38 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.756 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -54.86 -50.67 68.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.443 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -74.84 -23.48 58.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.768 0.794 . . . . 0.0 109.014 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.702 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 10.1 t80 -53.59 -50.27 65.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.307 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' F' ' 28' ' ' LEU . 4.5 mm? -53.8 -31.36 48.7 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.457 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . 0.672 HH11 ' CG ' ' F' ' 29' ' ' ARG . 0.0 OUTLIER -73.24 -28.21 62.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.459 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -76.4 -41.16 48.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.614 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' F' ' 27' ' ' PHE . 0.1 OUTLIER -110.65 124.26 51.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.386 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' F' ' 33' ' ' PRO . 14.9 t -82.61 121.7 78.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' F' ' 32' ' ' VAL . 79.7 Cg_exo -43.67 173.98 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 122.282 1.988 . . . . 0.0 112.134 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -70.58 90.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.564 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 17.2 m 43.85 71.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.515 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -167.19 136.32 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.513 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 24.1 pt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.86 118.61 0.51 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -77.38 52.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.777 0.322 . . . . 0.0 110.469 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -84.74 -150.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.749 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.422 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.0 OUTLIER -60.29 -31.11 69.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.646 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -53.42 -29.35 34.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.871 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -65.71 -36.32 83.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.756 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.422 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.3 tp -64.41 -30.12 49.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.576 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 5.6 t -68.77 -38.94 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.993 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -62.99 -21.86 66.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . 0.409 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.46 -33.48 62.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.442 -179.689 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.681 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -81.11 -28.12 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.658 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -60.87 -50.8 71.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.956 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.21 -22.34 62.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.812 0.815 . . . . 0.0 108.906 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.681 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.0 t80 -51.9 -51.1 59.24 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.558 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.48 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.4 mm? -52.54 -33.32 44.99 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.334 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . 0.455 ' HA ' ' HE ' ' F' ' 29' ' ' ARG . 0.7 OUTLIER -73.39 -25.6 60.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.387 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -81.48 -41.39 21.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.194 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' F' ' 27' ' ' PHE . 10.2 mt -66.24 -75.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.674 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 22.8 t 53.57 71.68 1.33 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.476 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -77.89 162.12 29.66 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.712 2.275 . . . . 0.0 112.22 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . 0.687 ' CG ' HH11 ' F' ' 34' ' ' ARG . 0.0 OUTLIER -80.06 161.53 25.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.645 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 4.5 t -175.47 43.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 61.82 -129.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.458 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.588 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . 0.433 HG23 ' N ' ' F' ' 14' ' ' GLY . 13.4 tt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . 0.433 ' N ' HG23 ' F' ' 13' ' ' ILE . . . 178.54 97.78 0.11 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' F' ' 14' ' ' GLY . 21.2 ttpp 58.17 151.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.625 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' F' ' 16' ' ' GLU . 1.6 pm0 -151.65 107.09 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.344 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.407 ' O ' ' CG2' ' F' ' 20' ' ' ILE . 0.3 OUTLIER -73.41 -30.97 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -67.41 -29.45 68.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.889 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . 0.654 HH21 ' NE2' ' F' ' 22' ' ' GLN . 6.6 tpm_? -66.53 -49.66 65.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.354 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.407 ' CG2' ' O ' ' F' ' 17' ' ' PHE . 4.0 tt -59.77 -30.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.107 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.21 -49.07 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . 0.654 ' NE2' HH21 ' F' ' 19' ' ' ARG . 17.8 mt-30 -65.26 -21.91 66.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.513 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . 0.661 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.57 -38.78 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.231 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.675 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.9 pt -72.13 -27.62 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.466 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -63.42 -50.68 68.84 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.503 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . 0.493 ' CG ' HD21 ' F' ' 30' ' ' ASN . 30.6 t0 -69.4 -22.16 63.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.839 0.828 . . . . 0.0 109.0 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.675 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.6 t80 -51.39 -51.52 53.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.193 -1.367 . . . . 0.0 111.472 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.433 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.1 mm? -57.25 -41.69 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.39 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -72.98 -25.95 61.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.484 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . 0.493 HD21 ' CG ' ' F' ' 26' ' ' ASP . 64.6 m-80 -85.84 -41.2 15.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.006 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' F' ' 27' ' ' PHE . 7.8 mp -62.82 165.25 6.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.599 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 22.5 t 49.86 63.22 10.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.284 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -79.21 -66.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.826 2.351 . . . . 0.0 112.156 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -84.94 -153.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.595 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 63.5 p -78.68 -105.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.409 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -103.29 -77.78 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.582 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 95.6 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.589 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . 0.429 HG22 ' H ' ' F' ' 14' ' ' GLY . 7.5 mm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . 0.429 ' H ' HG22 ' F' ' 13' ' ' ILE . . . -174.86 151.92 13.09 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 tptt -170.3 151.34 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.711 0.291 . . . . 0.0 110.518 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -134.58 -18.44 1.92 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.468 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.5 OUTLIER -74.05 -39.02 63.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.538 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -53.01 -29.56 30.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.691 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . 0.665 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER -56.74 -35.49 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.468 HG22 ' O ' ' F' ' 17' ' ' PHE . 2.1 tp -70.42 -30.87 44.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.543 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 t -79.26 -38.66 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.393 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.61 -20.74 66.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.077 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . 0.408 ' O ' ' OD1' ' F' ' 26' ' ' ASP . 22.0 mmt180 -73.3 -36.16 66.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.662 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -80.88 -27.61 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.316 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -65.54 -49.65 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.252 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . 0.531 ' O ' ' ND2' ' F' ' 30' ' ' ASN . 9.8 p-10 -68.84 -21.35 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.77 0.795 . . . . 0.0 108.938 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.662 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.8 t80 -51.1 -51.75 50.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.58 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.601 HD12 ' H ' ' F' ' 28' ' ' LEU . 2.7 mp -66.62 -30.85 71.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.772 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -73.37 -25.85 60.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' F' ' 26' ' ' ASP . 56.5 m-20 -94.83 -37.49 11.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.473 HD13 ' O ' ' F' ' 27' ' ' PHE . 7.2 mp -68.58 4.49 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.531 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' F' ' 31' ' ' LEU . 98.0 t 51.73 102.35 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.393 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.71 -92.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.292 1.994 . . . . 0.0 112.213 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' F' ' 35' ' ' THR . 43.4 ttt180 -172.18 153.57 3.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.669 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . 0.4 ' C ' ' O ' ' F' ' 34' ' ' ARG . 0.0 OUTLIER 37.47 85.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.742 179.725 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -40.68 112.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.63 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.25 -79.47 1.45 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' F' ' 17' ' ' PHE . 20.7 tptt 67.26 -146.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.729 0.299 . . . . 0.0 110.454 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . 0.45 ' H ' ' CG ' ' F' ' 15' ' ' LYS . 4.3 tm-20 68.16 -38.95 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' F' ' 17' ' ' PHE . 0.1 OUTLIER -60.18 -29.84 68.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.727 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -52.59 -30.04 29.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.864 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . 0.7 HH11 ' HG2' ' F' ' 19' ' ' ARG . 3.7 mtt-85 -75.09 -30.66 60.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.892 0.377 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.428 HG22 ' O ' ' F' ' 17' ' ' PHE . 2.8 tt -61.88 -30.85 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.454 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . 0.442 ' CG2' ' CZ ' ' F' ' 17' ' ' PHE . 10.4 t -75.41 -39.71 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.808 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -56.91 -21.27 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.538 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -74.21 -42.54 59.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.061 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.693 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -74.74 -27.88 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.029 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -64.11 -49.94 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.159 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.63 -22.28 64.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.823 0.82 . . . . 0.0 108.942 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.693 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.3 t80 -51.96 -51.54 56.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.615 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.505 HD12 ' N ' ' F' ' 28' ' ' LEU . 9.7 mp -63.33 -27.43 69.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.058 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -68.49 -46.06 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.52 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . 0.552 ' C ' ' H ' ' F' ' 32' ' ' VAL . 10.6 p-10 -82.46 -23.23 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.286 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.568 HD13 ' O ' ' F' ' 27' ' ' PHE . 5.6 mp -72.65 27.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.94 0.4 . . . . 0.0 110.298 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' F' ' 30' ' ' ASN . 35.0 t -108.44 100.47 38.07 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.247 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -80.42 -59.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.345 2.03 . . . . 0.0 112.305 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 48.01 32.01 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.252 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 18.2 m -62.92 -55.02 29.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.712 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 59.35 97.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 pt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.38 -171.41 43.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' F' ' 17' ' ' PHE . 9.4 mtmp? -141.32 -119.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 110.434 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 54.07 -87.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.548 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.7 OUTLIER -74.09 -43.52 57.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.859 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -52.59 -29.35 25.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.375 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . 0.498 HH11 ' NE2' ' F' ' 22' ' ' GLN . 9.1 tpt180 -63.31 -41.54 98.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.63 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.548 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.7 tp -59.96 -30.47 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.031 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 t -73.14 -41.7 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . 0.498 ' NE2' HH11 ' F' ' 19' ' ' ARG . 25.0 mt-30 -58.07 -20.55 40.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.364 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.01 -38.08 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.659 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.4 pt -80.59 -27.59 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.378 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.15 -50.55 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.943 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.22 -22.39 62.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.849 0.833 . . . . 0.0 108.897 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.659 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.9 t80 -51.85 -51.09 59.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.145 -1.388 . . . . 0.0 111.371 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.22 -28.45 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.828 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -36.48 82.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -88.52 -38.92 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.529 HD22 ' CE2' ' F' ' 27' ' ' PHE . 7.1 mp -77.03 -51.16 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 t -116.1 88.13 21.33 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -47.24 -20.16 1.29 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.506 2.137 . . . . 0.0 112.243 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -77.1 134.34 38.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 23.5 m -147.99 83.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.641 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -83.93 119.33 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.466 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 tt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' F' ' 16' ' ' GLU . . . -161.62 142.18 7.84 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' F' ' 16' ' ' GLU . 41.8 mttp 36.14 -91.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.635 0.255 . . . . 0.0 110.987 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' F' ' 14' ' ' GLY . 35.4 mm-40 46.16 98.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.467 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.1 OUTLIER -58.23 -29.09 65.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.434 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -63.55 -29.4 70.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.18 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -63.23 -50.26 70.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.482 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.467 HG22 ' O ' ' F' ' 17' ' ' PHE . 4.2 tt -59.68 -30.35 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.57 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 100.0 t -65.69 -43.48 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.03 0.443 . . . . 0.0 110.208 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -64.77 -23.57 67.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.646 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . 0.68 ' CG ' HH11 ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.26 -37.61 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.986 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.645 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -76.07 -27.45 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.344 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -65.41 -50.32 65.92 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.547 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.52 -21.59 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.809 0.814 . . . . 0.0 108.83 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.855 ' CD2' HD11 ' F' ' 31' ' ' LEU . 4.2 t80 -51.07 -51.13 56.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.387 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.54 ' N ' HD12 ' F' ' 28' ' ' LEU . 7.8 mp -53.76 -48.41 69.75 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.408 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . 0.657 ' CG ' HH11 ' F' ' 29' ' ' ARG . 2.9 mtt-85 -73.89 -34.4 64.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -78.24 -41.33 34.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.354 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.855 HD11 ' CD2' ' F' ' 27' ' ' PHE . 17.0 mt -41.19 -30.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.417 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.86 115.04 14.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.402 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -43.27 117.39 1.01 Allowed 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.237 1.958 . . . . 0.0 112.162 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -96.91 44.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.615 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 19.0 m -66.14 -45.68 80.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.464 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -88.88 147.45 24.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.514 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.538 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . 0.428 ' N ' ' NZ ' ' F' ' 15' ' ' LYS . 16.4 pt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.01 -65.62 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . 0.467 ' HD3' ' H ' ' F' ' 15' ' ' LYS . 0.1 OUTLIER -53.03 173.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.308 . . . . 0.0 110.451 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -128.69 -5.07 5.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.478 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.2 OUTLIER -74.19 -33.55 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.682 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -53.03 -29.5 29.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.76 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -56.59 -47.54 79.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.695 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.478 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.9 tp -59.58 -30.55 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 15.2 t -70.92 -37.51 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.787 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -59.57 -21.24 60.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.677 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -74.52 -39.25 62.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.386 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.655 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.8 pt -78.03 -27.83 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.776 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.17 -50.19 69.12 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.724 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -68.62 -21.82 64.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.791 0.805 . . . . 0.0 108.939 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.655 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.5 t80 -51.37 -51.66 52.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.631 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.525 HD12 ' N ' ' F' ' 28' ' ' LEU . 8.5 mp -56.06 -41.46 75.12 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.741 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -64.41 -25.76 68.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.674 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -83.45 -32.34 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.783 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.427 HD11 ' CE2' ' F' ' 27' ' ' PHE . 0.2 OUTLIER -133.35 132.36 41.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.785 0.326 . . . . 0.0 110.599 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 4.2 t 42.92 76.31 0.54 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' F' ' 34' ' ' ARG . 74.4 Cg_endo -79.07 82.8 2.41 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.64 2.227 . . . . 0.0 112.16 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' F' ' 33' ' ' PRO . 52.2 mtp180 49.8 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.697 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 68.3 p -98.73 -62.78 1.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.521 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -59.39 163.17 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.582 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.579 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . 0.574 HG23 ' O ' ' F' ' 13' ' ' ILE . 11.1 tt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 39.4 -102.74 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . 0.413 ' CB ' ' NZ ' ' F' ' 15' ' ' LYS . 7.3 mtmp? -89.59 108.24 19.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.728 0.299 . . . . 0.0 110.318 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -139.46 51.31 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.545 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.638 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.1 OUTLIER -57.56 -29.5 64.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.053 0.454 . . . . 0.0 110.326 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -57.77 -28.31 63.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.256 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -54.89 -50.52 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.672 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.638 HG22 ' O ' ' F' ' 17' ' ' PHE . 5.2 tt -63.72 -30.47 50.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.64 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . 0.401 ' CG2' ' CZ ' ' F' ' 17' ' ' PHE . 21.6 t -67.82 -36.46 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.39 . . . . 0.0 110.579 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.29 -27.44 65.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . 0.684 ' CG ' HH11 ' F' ' 23' ' ' ARG . 0.0 OUTLIER -71.71 -37.48 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.889 -179.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.665 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.5 pt -81.21 -27.84 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.503 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -63.21 -50.32 70.74 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.724 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -69.19 -21.94 63.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.782 0.801 . . . . 0.0 108.926 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.665 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -51.4 -51.28 56.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.269 -1.332 . . . . 0.0 111.366 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.611 ' O ' HG13 ' F' ' 32' ' ' VAL . 4.3 mm? -61.18 -42.5 98.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.595 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -58.3 -38.82 77.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -80.96 -40.76 23.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.768 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' F' ' 32' ' ' VAL . 6.8 mp -62.85 -93.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.543 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . 0.611 HG13 ' O ' ' F' ' 28' ' ' LEU . 4.8 m 26.68 75.0 0.33 Allowed Pre-proline 0 CA--C 1.529 0.159 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.409 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -72.71 135.22 23.4 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.443 2.095 . . . . 0.0 111.955 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . 0.688 ' H ' ' CD ' ' F' ' 34' ' ' ARG . 0.0 OUTLIER -39.3 141.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.844 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 13.5 m -159.4 64.83 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.569 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -157.54 119.6 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.49 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.585 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 66.3 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.21 67.92 0.3 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' F' ' 17' ' ' PHE . 0.1 OUTLIER 44.0 -152.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 110.629 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 71.84 -32.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.809 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.507 ' H ' ' C ' ' F' ' 15' ' ' LYS . 0.7 OUTLIER -74.35 -38.03 63.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.777 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -52.59 -29.3 25.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.869 0.366 . . . . 0.0 110.506 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -63.62 -46.51 85.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.694 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.44 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.4 tp -59.08 -30.6 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.716 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.89 -37.19 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -69.75 -20.82 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.082 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . 0.672 HH11 ' CG ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -72.77 -38.31 67.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.444 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.646 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.7 pt -76.8 -27.67 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.96 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -66.1 -49.92 65.86 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.032 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . 0.537 ' OD2' ' NH2' ' F' ' 29' ' ' ARG . 5.3 m-20 -67.77 -22.17 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.85 0.833 . . . . 0.0 108.948 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.646 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.8 t80 -51.5 -51.35 55.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.663 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.492 HD22 ' N ' ' F' ' 28' ' ' LEU . 3.9 mm? -58.63 -39.85 81.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.924 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . 0.537 ' NH2' ' OD2' ' F' ' 26' ' ' ASP . 2.5 ttm180 -65.24 -36.1 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.705 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -82.56 -32.66 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.578 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.478 HD22 ' CE2' ' F' ' 27' ' ' PHE . 6.9 mp -89.37 75.32 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' F' ' 29' ' ' ARG . 0.0 OUTLIER -151.91 157.15 34.42 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . 0.459 ' O ' ' O ' ' F' ' 34' ' ' ARG . 52.2 Cg_endo -70.04 80.51 0.96 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' F' ' 33' ' ' PRO . 31.7 mtm180 40.85 99.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . 0.4 HG23 ' H ' ' F' ' 35' ' ' THR . 1.6 p -76.33 40.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.39 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' F' ' 34' ' ' ARG . 19.8 pt-20 -41.41 127.64 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.722 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.533 -179.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 9.1 pt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.66 -0.02 55.39 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -162.84 128.45 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.534 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -52.07 135.78 30.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.668 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.6 OUTLIER -70.92 -38.97 72.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.44 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -53.58 -28.21 30.79 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.644 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -55.13 -49.88 70.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.616 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.668 HG22 ' O ' ' F' ' 17' ' ' PHE . 4.9 tt -66.22 -30.62 50.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.653 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . 0.434 ' CG2' ' CZ ' ' F' ' 17' ' ' PHE . 60.0 t -65.07 -42.44 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.978 0.418 . . . . 0.0 110.347 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -68.01 -22.2 65.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . 0.59 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.38 -38.37 63.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.655 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -74.52 -27.47 21.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.312 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -67.05 -50.17 62.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.307 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.96 -21.39 65.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.813 0.816 . . . . 0.0 108.804 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.655 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.5 t80 -50.88 -51.91 46.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.132 -1.394 . . . . 0.0 111.536 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.525 HD12 ' N ' ' F' ' 28' ' ' LEU . 8.1 mp -53.1 -32.88 49.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -71.66 -25.45 62.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.432 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.18 -41.36 17.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' F' ' 27' ' ' PHE . 10.0 mt -63.33 -127.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.583 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.98 78.67 11.39 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.763 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -49.7 175.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.598 2.198 . . . . 0.0 112.094 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -173.36 142.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.451 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 44.3 p -75.73 -105.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.591 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 40.87 56.97 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.717 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.95 166.82 11.54 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -73.83 173.21 10.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 0.0 110.535 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' F' ' 16' ' ' GLU . 11.8 pm0 -137.23 55.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.375 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.51 ' O ' HG22 ' F' ' 20' ' ' ILE . 1.0 OUTLIER -73.92 -34.77 64.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -62.5 -29.58 70.65 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.806 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . 0.649 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER -61.15 -50.1 74.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.747 -179.089 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.51 HG22 ' O ' ' F' ' 17' ' ' PHE . 3.6 tt -60.05 -30.69 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.862 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.89 -35.34 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.936 0.398 . . . . 0.0 110.259 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -66.07 -26.3 67.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -74.19 -50.84 17.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.32 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.647 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 1.9 pp -65.97 -27.07 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.428 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.96 -50.36 62.56 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.606 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . 0.431 ' OD2' ' ND2' ' F' ' 30' ' ' ASN . 23.6 t70 -68.77 -21.45 64.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.909 0.861 . . . . 0.0 108.711 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.647 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -50.92 -51.54 51.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.639 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.506 HD22 ' N ' ' F' ' 28' ' ' LEU . 3.9 mm? -59.22 -34.29 72.0 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.713 -178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -73.07 -39.52 65.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.773 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . 0.431 ' ND2' ' OD2' ' F' ' 26' ' ' ASP . 76.0 m-20 -75.39 -41.24 56.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.889 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mp -50.06 -52.42 34.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 25.8 t -67.71 132.2 92.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.012 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.15 -95.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.19 1.926 . . . . 0.0 112.042 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -149.11 34.68 0.74 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 30.1 p -88.03 -12.57 43.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.491 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -172.99 -168.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . 0.722 ' N ' HD12 ' F' ' 13' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . 0.5 ' N ' HG22 ' F' ' 13' ' ' ILE . . . -149.2 11.65 1.04 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -73.02 87.04 1.34 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.831 0.348 . . . . 0.0 110.419 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -177.25 -45.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.499 ' O ' HG22 ' F' ' 20' ' ' ILE . 2.3 t80 -74.3 -45.68 45.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -52.6 -29.65 26.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.58 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.13 -28.58 67.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.286 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.499 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.3 tp -73.52 -30.33 29.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.64 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.36 -42.73 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.692 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -66.83 -22.02 66.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.508 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . 0.461 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.47 -35.5 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.679 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.3 pt -78.78 -27.9 13.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.531 -0.467 . . . . 0.0 111.417 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -63.73 -50.3 69.65 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.61 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.36 -21.84 63.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.815 0.817 . . . . 0.0 108.868 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.679 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.2 t80 -51.66 -50.99 59.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.668 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.464 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.3 mm? -52.27 -34.27 45.7 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.682 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . 0.661 ' CG ' HH11 ' F' ' 29' ' ' ARG . 0.0 OUTLIER -71.59 -25.3 62.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.066 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -82.14 -41.47 20.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' F' ' 27' ' ' PHE . 9.3 mt -68.3 148.59 50.54 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.464 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . 0.653 HG13 ' O ' ' F' ' 32' ' ' VAL . 7.1 p -37.65 102.39 0.24 Allowed Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -82.72 -95.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.4 2.067 . . . . 0.0 112.065 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . 0.515 ' NE ' ' O ' ' F' ' 34' ' ' ARG . 0.0 OUTLIER -171.65 44.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.289 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 7.2 m 46.86 70.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . 0.488 ' OE2' ' NH2' ' F' ' 29' ' ' ARG . 61.0 mt-10 -64.42 -106.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 49.0 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.585 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 134.38 169.55 12.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -111.14 -43.25 3.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.798 0.333 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -162.99 162.26 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.432 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.1 OUTLIER -53.84 -34.23 58.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.545 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -53.09 -29.31 29.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.676 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -55.57 -37.47 68.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.432 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.8 tp -68.31 -33.57 61.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 0.0 110.37 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -79.4 -38.94 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.368 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.38 -25.87 26.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.118 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . 0.442 ' CA ' ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -74.38 -44.51 51.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.578 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.692 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.3 pt -81.44 -28.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.381 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -59.67 -50.48 73.68 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.161 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.27 -22.54 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.799 0.809 . . . . 0.0 108.933 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.692 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 6.0 t80 -52.05 -51.45 57.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.49 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.423 ' N ' HD22 ' F' ' 28' ' ' LEU . 4.3 mm? -58.86 -46.79 86.93 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.449 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . 0.662 HH11 ' CG ' ' F' ' 29' ' ' ARG . 0.3 OUTLIER -60.16 -36.71 78.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.347 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -77.76 -40.15 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.288 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -77.89 163.05 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.181 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 t -143.58 72.45 17.44 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.34 -58.68 1.03 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.768 2.312 . . . . 0.0 111.899 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . 0.656 ' CG ' HH11 ' F' ' 34' ' ' ARG . 0.0 OUTLIER 54.29 -152.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.459 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 5.2 m -132.82 53.84 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.507 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.92 -32.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.56 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . 0.478 HG23 ' N ' ' F' ' 14' ' ' GLY . 9.4 tt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . 0.478 ' N ' HG23 ' F' ' 13' ' ' ILE . . . -70.76 169.88 47.43 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' F' ' 16' ' ' GLU . 18.2 pttp -158.96 -43.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.319 . . . . 0.0 110.568 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' F' ' 15' ' ' LYS . 68.5 mm-40 55.4 163.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.663 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.475 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.1 OUTLIER -74.45 -29.67 61.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.923 -179.705 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -53.16 -29.92 34.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.319 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . 0.738 HH22 ' HE ' ' F' ' 23' ' ' ARG . 0.0 OUTLIER -58.37 -43.42 88.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.892 -179.797 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.475 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.9 tp -59.1 -30.83 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.532 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 t -79.19 -48.48 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.405 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . 0.513 ' CA ' HE21 ' F' ' 22' ' ' GLN . 0.0 OUTLIER -54.79 -20.62 8.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.977 0.418 . . . . 0.0 109.95 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . 0.738 ' HE ' HH22 ' F' ' 19' ' ' ARG . 10.0 mmt180 -74.06 -43.88 56.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.453 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.653 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.4 pt -77.23 -27.48 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.984 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -49.88 64.85 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.894 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.98 -21.67 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.771 0.796 . . . . 0.0 108.869 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.653 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.6 t80 -50.8 -51.4 51.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.441 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.547 ' N ' HD12 ' F' ' 28' ' ' LEU . 8.5 mp -60.82 -31.79 71.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.59 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -73.05 -36.35 66.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' F' ' 32' ' ' VAL . 8.2 m-20 -80.91 -41.76 22.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.887 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.34 68.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.082 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' F' ' 34' ' ' ARG . 35.0 m -81.49 149.96 65.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.672 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' F' ' 34' ' ' ARG . 87.1 Cg_exo -41.31 -17.45 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.481 2.121 . . . . 0.0 112.141 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' F' ' 32' ' ' VAL . 23.2 ttp180 76.24 169.14 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.499 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . 0.558 ' O ' HG22 ' F' ' 35' ' ' THR . 28.1 m 59.85 8.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.573 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.96 126.65 28.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.489 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.547 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.78 16.96 2.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -162.76 108.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -75.69 65.5 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.699 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.411 ' O ' ' CG2' ' F' ' 20' ' ' ILE . 0.5 OUTLIER -73.31 -30.73 63.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.43 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -67.22 -29.29 68.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.59 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . 0.672 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER -66.35 -49.91 65.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.463 -179.244 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.411 ' CG2' ' O ' ' F' ' 17' ' ' PHE . 3.9 tt -59.29 -30.82 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.056 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 81.0 t -73.44 -48.78 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.618 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -20.81 7.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -74.4 -47.52 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.672 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.9 pt -67.54 -27.19 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.421 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -50.51 68.71 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.806 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . 0.54 ' OD1' ' ND2' ' F' ' 30' ' ' ASN . 9.6 t70 -70.68 -22.25 62.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.879 0.847 . . . . 0.0 108.846 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.672 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.9 t80 -51.4 -51.13 57.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.028 -1.442 . . . . 0.0 111.313 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.72 -27.68 69.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.934 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -71.56 -37.01 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . 0.54 ' ND2' ' OD1' ' F' ' 26' ' ' ASP . 39.9 m-20 -87.17 -41.35 13.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.03 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.469 HD13 ' O ' ' F' ' 27' ' ' PHE . 5.3 mp -49.28 149.34 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.565 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' F' ' 34' ' ' ARG . 35.0 m -40.21 146.84 0.39 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -40.58 83.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.634 2.223 . . . . 0.0 112.382 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . 0.67 ' CG ' HH11 ' F' ' 34' ' ' ARG . 0.0 OUTLIER -150.1 86.63 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.254 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 9.7 m -57.62 -68.81 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.469 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -175.54 153.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 tp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.64 -68.13 0.16 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -110.05 57.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 110.353 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' F' ' 17' ' ' PHE . 11.5 tt0 -144.59 179.54 7.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.154 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.46 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.3 OUTLIER -73.72 -33.59 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.673 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -53.04 -29.79 31.87 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.582 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -57.47 -49.04 77.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.73 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.46 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.6 tp -59.23 -30.46 43.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.36 -37.86 79.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.713 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -73.17 -22.77 60.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.644 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -74.23 -30.88 62.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.692 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.1 pt -81.21 -28.01 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.734 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -59.69 -50.95 71.84 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.365 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' F' ' 26' ' ' ASP . 20.8 t0 -70.99 -22.74 62.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.811 0.815 . . . . 0.0 108.863 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.692 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.4 t80 -52.23 -51.34 58.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.722 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.433 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.4 mm? -56.41 -27.91 57.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.589 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . 0.678 HH11 ' CG ' ' F' ' 29' ' ' ARG . 0.0 OUTLIER -64.45 -40.99 96.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.419 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -78.37 -38.06 42.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.467 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' F' ' 32' ' ' VAL . 10.9 mp -78.05 57.37 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.468 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' F' ' 31' ' ' LEU . 2.6 m -29.74 94.99 0.07 OUTLIER Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.187 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' F' ' 31' ' ' LEU . 94.8 Cg_endo -85.74 -164.87 0.25 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.687 2.258 . . . . 0.0 112.22 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -162.96 32.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.509 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -174.63 27.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 45.0 36.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.552 -179.861 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.26 -57.99 1.42 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' F' ' 16' ' ' GLU . 10.2 mtpm? -47.79 -73.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.54 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' F' ' 15' ' ' LYS . 19.9 tp10 52.12 102.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.464 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.1 OUTLIER -74.36 -34.22 63.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.597 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.73 -30.17 42.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.294 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -65.24 -28.43 69.35 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.056 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.464 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.4 tp -70.52 -30.48 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.348 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 t -77.39 -40.85 29.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -54.8 -21.4 11.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.48 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -74.12 -40.94 62.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.719 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 2.8 pt -81.32 -28.08 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.336 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -58.47 -50.54 73.35 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.211 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -72.18 -23.07 61.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.791 0.805 . . . . 0.0 108.928 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.719 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.3 t80 -52.6 -51.27 60.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.428 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.441 ' O ' HG12 ' F' ' 32' ' ' VAL . 9.9 mp -66.08 -29.11 69.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.927 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -67.07 -30.65 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . 0.51 ' C ' ' H ' ' F' ' 32' ' ' VAL . 28.2 t-20 -96.32 -39.51 9.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.23 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.475 HD13 ' O ' ' F' ' 27' ' ' PHE . 5.7 mp -57.68 -0.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.17 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . 0.563 ' O ' HG22 ' F' ' 32' ' ' VAL . 2.2 p -165.44 83.14 1.1 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.411 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -83.24 -165.71 0.34 Allowed 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.712 2.275 . . . . 0.0 111.967 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -48.69 121.35 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -54.88 -28.5 50.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.661 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . 0.492 ' CD ' ' H ' ' F' ' 36' ' ' GLU . 6.3 mp0 -53.35 119.66 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.629 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' F' ' 15' ' ' LYS . . . 160.28 115.62 0.39 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' F' ' 17' ' ' PHE . 15.6 mttp 43.48 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.64 0.257 . . . . 0.0 110.663 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' F' ' 15' ' ' LYS . 8.4 pt-20 32.6 33.23 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.096 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.538 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.1 OUTLIER -70.06 -29.85 66.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.655 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . 0.522 ' O ' ' NE2' ' F' ' 22' ' ' GLN . 48.0 mtpt -52.4 -29.58 24.92 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.542 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . 0.682 ' CG ' HH11 ' F' ' 19' ' ' ARG . 0.0 OUTLIER -58.95 -42.12 89.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.425 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.538 HG22 ' O ' ' F' ' 17' ' ' PHE . 6.4 tt -59.65 -30.83 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 t -73.6 -39.14 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.855 0.36 . . . . 0.0 110.641 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' F' ' 18' ' ' LYS . 1.9 mp0 -63.26 -21.11 66.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.431 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -74.37 -41.18 61.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.657 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 3.0 pt -74.92 -27.4 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.322 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -66.48 -50.04 64.6 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.268 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.55 -21.69 65.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.86 0.838 . . . . 0.0 108.767 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.657 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 4.9 t80 -51.23 -51.12 56.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.584 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.54 HD22 ' N ' ' F' ' 28' ' ' LEU . 4.0 mm? -55.78 -44.38 77.7 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.356 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.12 -40.64 90.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.428 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -75.43 -39.5 58.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.66 -60.84 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . . . . . . . . . 16.1 m -116.43 129.98 24.84 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.437 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.51 -62.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.265 1.976 . . . . 0.0 112.181 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -170.64 79.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.602 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . 0.43 ' C ' ' H ' ' F' ' 37' ' ' SER . 10.1 t -104.94 -17.88 14.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -77.67 29.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.622 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . 0.43 ' H ' ' C ' ' F' ' 35' ' ' THR . 16.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 tt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.13 -59.08 0.1 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -88.31 -148.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.472 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -165.79 107.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.399 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 17' ' ' PHE . . . . . 0.401 ' O ' HG22 ' F' ' 20' ' ' ILE . 0.0 OUTLIER -74.07 -29.44 61.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.026 -179.603 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' F' F ' 18' ' ' LYS . . . . . 0.539 ' O ' ' NE2' ' F' ' 22' ' ' GLN . 80.2 mttt -52.82 -31.5 39.21 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.153 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 19' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -76.47 -33.56 58.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.173 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . 0.401 HG22 ' O ' ' F' ' 17' ' ' PHE . 1.1 tp -59.53 -30.5 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.577 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.39 -35.05 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 22' ' ' GLN . . . . . 0.539 ' NE2' ' O ' ' F' ' 18' ' ' LYS . 2.6 mp0 -75.55 -20.57 58.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . 0.422 ' O ' ' OD1' ' F' ' 26' ' ' ASP . 1.5 mmt180 -72.94 -30.72 64.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 24' ' ' ILE . . . . . 0.621 ' HA ' ' HB2' ' F' ' 27' ' ' PHE . 4.1 pt -77.49 -27.34 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.62 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -65.66 -50.41 65.06 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.722 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 26' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' F' ' 23' ' ' ARG . 12.9 p-10 -67.94 -21.74 65.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.837 0.827 . . . . 0.0 108.8 178.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 27' ' ' PHE . . . . . 0.621 ' HB2' ' HA ' ' F' ' 24' ' ' ILE . 5.0 t80 -51.02 -50.9 57.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.511 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 28' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' F' ' 32' ' ' VAL . 8.8 mp -56.55 -30.05 62.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.043 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 29' ' ' ARG . . . . . 0.702 HH11 ' HG3' ' F' ' 29' ' ' ARG . 0.6 OUTLIER -61.28 -46.3 90.92 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.547 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' F' F ' 30' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -76.74 -37.17 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 31' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' F' ' 32' ' ' VAL . 10.3 mp -79.98 -13.31 59.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.358 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 32' ' ' VAL . . . . . 0.767 HG13 ' O ' ' F' ' 32' ' ' VAL . 8.6 p 22.38 66.89 0.33 Allowed Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.444 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 33' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.93 179.31 5.33 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.005 2.47 . . . . 0.0 112.064 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 34' ' ' ARG . . . . . 0.496 ' C ' ' H ' ' F' ' 36' ' ' GLU . 48.1 mtp180 -87.9 117.05 26.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.458 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 35' ' ' THR . . . . . 0.476 ' C ' ' H ' ' F' ' 37' ' ' SER . 23.9 p -74.33 28.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 36' ' ' GLU . . . . . 0.496 ' H ' ' C ' ' F' ' 34' ' ' ARG . 9.0 mm-40 52.77 8.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . 0.476 ' H ' ' C ' ' F' ' 35' ' ' THR . 8.6 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 179.98 . . . . . . . . 1 1 . 1 stop_ save_