data_6z0g_residue ############################ # Computer software used # ############################ 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 6z0g _Structure_validation_residue.Date_analyzed 2020-09-11 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo . . . . . 0 N--CA 1.495 1.587 0 CA-C-O 120.93 0.304 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.7 p -62.84 -15.03 52.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.4 p -81.53 -49.14 10.92 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.612 0.72 . . . . 0.0 109.082 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.34 -41.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.214 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 tt -59.36 -39.84 84.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.963 0.411 . . . . 0.0 110.396 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.7 -43.57 96.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.148 0.499 . . . . 0.0 110.359 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -59.29 -42.7 91.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.811 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.57 -39.14 86.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.91 90.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.784 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.5 m -61.85 -47.5 84.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.739 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.6 pt -63.83 -37.94 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.333 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -62.74 -50.24 71.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.526 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.48 -44.44 94.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.74 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.29 -45.11 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.429 -0.509 . . . . 0.0 111.616 -175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -64.34 -43.01 95.95 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.818 -177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -69.46 -37.93 76.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.564 -0.455 . . . . 0.0 111.864 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.771 0.32 . . . . 0.0 110.829 -179.573 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo . . . . . 0 N--CA 1.497 1.678 0 CA-C-O 120.973 0.322 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 t -58.86 -16.85 19.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.4 t -80.83 -53.71 6.24 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.531 0.681 . . . . 0.0 109.541 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 tt -63.15 -36.16 74.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.03 174.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.9 tp -63.01 -39.05 93.61 Favored 'General case' 0 C--N 1.334 -0.086 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.389 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 tt -64.11 -44.66 91.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.145 0.498 . . . . 0.0 110.237 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.78 -42.5 93.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.927 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.1 tp -58.23 -40.14 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.389 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.67 93.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.675 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.0 m -59.36 -46.93 87.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.107 0.48 . . . . 0.0 110.348 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.49 -43.08 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.113 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.95 -45.37 90.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.437 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.5 mt -57.76 -43.36 85.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.7 mm -62.35 -45.05 99.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.641 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -58.32 -40.24 81.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.975 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.13 -49.32 68.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.713 -176.356 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo . . . . . 0 N--CA 1.496 1.619 0 CA-C-O 120.524 0.135 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.5 p -56.67 -19.24 15.43 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 t -81.41 -53.12 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.4 0.619 . . . . 0.0 109.432 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.3 pt -61.97 -32.86 55.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.184 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.81 -37.14 86.61 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.565 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -46.55 88.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.097 0.475 . . . . 0.0 110.011 -177.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.81 -42.44 97.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.052 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -58.79 -39.5 81.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.57 81.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 110.809 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.5 m -61.71 -51.39 68.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.037 0.446 . . . . 0.0 110.557 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.7 tt -61.86 -35.7 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.315 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -62.34 -48.17 81.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.005 0.431 . . . . 0.0 110.394 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.68 -42.07 87.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.4 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.34 -43.54 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.965 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.62 -39.21 79.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.77 -48.67 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.972 0.415 . . . . 0.0 110.29 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.883 -176.293 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 N--CA 1.495 1.601 0 CA-C-O 120.72 0.217 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.8 p -61.35 -15.65 38.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 m -81.34 -51.86 7.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.367 0.603 . . . . 0.0 109.401 -172.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.6 tt -64.31 -35.9 75.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.091 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.48 -40.0 92.96 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.277 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.26 -45.21 85.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.175 0.512 . . . . 0.0 110.478 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.82 -42.38 97.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.003 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.05 -40.57 85.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.17 71.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.982 0.42 . . . . 0.0 110.697 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.2 m -61.72 -51.15 69.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.636 -174.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.82 -37.64 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.178 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.69 -52.17 66.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.258 0.551 . . . . 0.0 110.404 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.39 -43.39 97.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.582 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.3 pt -67.59 -42.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.522 -0.471 . . . . 0.0 112.065 -173.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -63.75 -39.77 95.09 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.511 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.8 mt -66.9 -45.8 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.039 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 tp . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.778 -176.144 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 N--CA 1.495 1.614 0 CA-C-O 120.937 0.307 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 t -57.56 -17.9 16.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.0 m -81.39 -51.47 8.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.499 0.666 . . . . 0.0 109.554 -171.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.7 tt -65.04 -34.12 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.23 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.74 -39.43 94.27 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.124 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tt -64.33 -45.27 88.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.276 0.56 . . . . 0.0 110.142 -177.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.29 -42.54 95.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.896 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.9 -40.07 79.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.371 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.33 89.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.004 0.43 . . . . 0.0 110.635 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.7 m -60.95 -47.91 84.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.9 -43.12 87.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.166 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.34 -46.27 89.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.977 0.418 . . . . 0.0 110.497 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -43.11 93.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.218 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.59 -46.97 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.474 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.18 -43.66 98.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.501 -173.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -70.07 -35.63 64.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.662 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 tp . . . . . 0 C--N 1.332 -0.19 0 CA-C-O 120.827 0.346 . . . . 0.0 110.691 177.189 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo . . . . . 0 N--CA 1.496 1.627 0 CA-C-O 120.691 0.204 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 p -63.54 -22.33 66.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 m -78.53 -50.26 11.89 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.7 mm -59.5 -39.02 78.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.514 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.83 -38.17 78.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.388 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -61.85 -45.58 93.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 110.374 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.69 -43.06 94.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.942 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.36 -38.84 85.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.603 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.36 88.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.75 -176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.4 m -60.27 -47.84 84.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 0.0 110.499 -177.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -59.76 -44.43 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.433 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.85 -49.51 77.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 110.825 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.51 -44.8 96.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.086 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.2 pt -66.98 -37.92 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.703 -175.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -61.13 -40.05 92.35 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.831 -0.347 . . . . 0.0 110.989 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.9 mt -65.28 -47.79 85.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.748 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.607 -177.094 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.495 1.61 0 CA-C-O 120.718 0.216 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.7 p -58.73 -17.38 22.51 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.3 t -80.55 -52.31 7.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.58 0.705 . . . . 0.0 109.423 -172.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.6 tt -64.81 -35.05 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.162 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.87 -37.76 88.57 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.726 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.74 -45.13 79.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.971 0.415 . . . . 0.0 110.678 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.68 -42.96 94.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.914 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.22 -40.2 89.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.13 85.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.949 0.404 . . . . 0.0 110.694 -176.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.71 -51.64 66.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.713 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.8 tt -62.52 -35.57 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.565 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -65.71 -52.31 52.37 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.631 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.4 -47.08 86.8 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.311 -175.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 tt -64.83 -36.65 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.455 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -61.1 -43.49 98.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.7 mm -66.32 -47.35 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.37 . . . . 0.0 110.979 -177.392 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo . . . . . 0 N--CA 1.496 1.629 0 N-CA-C 112.684 0.225 . . . . 0.0 112.684 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 p -60.91 -20.09 61.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -81.61 -51.46 8.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.527 0.68 . . . . 0.0 109.418 -171.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.2 tp -63.76 -35.12 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.14 174.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.87 -40.14 94.33 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.946 0.403 . . . . 0.0 110.206 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.64 -45.2 87.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.249 0.547 . . . . 0.0 110.38 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.3 -42.89 96.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.992 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -40.41 83.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.05 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.0 -47.72 83.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.598 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.3 m -59.3 -47.39 85.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.045 0.45 . . . . 0.0 110.402 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.9 -43.32 88.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.226 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -60.8 -48.67 80.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.844 0.354 . . . . 0.0 110.801 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.96 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.7 -48.5 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.455 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -60.7 -39.33 88.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.614 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.8 pt -76.13 -32.34 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.969 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 C--N 1.332 -0.173 0 CA-C-O 120.895 0.379 . . . . 0.0 110.22 178.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo . . . . . 0 N--CA 1.497 1.683 0 CA-C-O 120.837 0.266 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 t -60.87 -24.26 65.79 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.6 m -81.32 -51.21 8.61 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.397 0.618 . . . . 0.0 109.412 -171.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 tt -62.27 -36.75 76.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.933 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.51 -39.57 93.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.259 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.72 -44.92 94.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.351 -176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.57 -42.57 92.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.963 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.86 -40.41 84.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.347 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.53 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.1 m -60.33 -47.86 84.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.401 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.9 mt -58.43 -45.72 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.22 0.533 . . . . 0.0 110.071 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.07 -47.74 84.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.207 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.34 -42.19 81.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.579 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.6 mt -62.01 -44.63 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -58.84 -43.16 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.904 -173.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.8 mp -76.58 -33.33 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.959 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.1 tp . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 110.82 -176.602 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo . . . . . 0 N--CA 1.495 1.592 0 CA-C-O 120.732 0.222 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 t -57.53 -23.24 49.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m -79.05 -54.24 6.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.388 0.613 . . . . 0.0 109.53 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 tt -61.77 -36.27 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.861 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.58 -39.18 87.12 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.86 0.362 . . . . 0.0 110.273 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -46.89 80.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 0.0 110.195 -175.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.26 -43.47 96.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.774 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.69 -38.65 82.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.7 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.21 94.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.926 0.393 . . . . 0.0 110.682 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.3 m -60.75 -47.59 85.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.6 -44.44 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.145 -177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.34 -45.88 91.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.789 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 tp -59.12 -44.0 91.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.628 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.37 -49.06 85.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.09 -44.31 97.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.449 -173.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 tt -70.98 -39.61 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -175.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--N 1.33 -0.256 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.551 -179.091 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo . . . . . 0 N--CA 1.496 1.624 0 CA-C-O 120.64 0.183 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.6 p -62.33 -25.62 67.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.9 p -78.88 -47.09 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.482 0.658 . . . . 0.0 109.458 -172.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.7 pt -65.26 -33.52 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.985 172.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.72 -38.96 83.11 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.834 0.349 . . . . 0.0 110.211 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.5 tp -68.42 -48.91 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.93 0.395 . . . . 0.0 110.758 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.3 -44.97 94.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 0.0 109.924 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.91 -38.23 90.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.606 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.72 85.01 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.222 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.4 p -64.26 -41.55 96.88 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.14 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.85 -47.24 92.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.975 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -61.62 -46.89 87.9 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.847 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.38 -46.28 89.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.689 -173.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.6 pt -68.13 -36.77 76.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.507 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.76 -41.71 95.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.823 0.344 . . . . 0.0 110.793 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.73 -50.98 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.754 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.926 -174.78 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo . . . . . 0 N--CA 1.495 1.575 0 CA-C-O 120.731 0.221 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.9 p -58.9 -16.73 18.96 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.7 m -81.45 -48.91 11.26 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -174.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.5 mt -58.53 -39.87 76.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.461 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.85 -36.28 82.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.79 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.05 -45.87 91.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.027 0.442 . . . . 0.0 110.381 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.14 -42.64 95.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.891 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.4 tp -58.14 -41.67 84.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.167 0.508 . . . . 0.0 110.218 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.56 99.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.817 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.1 m -60.15 -44.99 94.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.794 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.13 -52.48 60.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.253 0.549 . . . . 0.0 110.003 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -62.08 -41.47 98.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.6 tp -61.21 -44.4 97.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.098 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.8 pt -68.03 -40.82 83.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.658 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.15 -41.18 92.22 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.785 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -71.47 -40.79 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.336 -175.412 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo . . . . . 0 N--CA 1.496 1.66 0 CA-C-O 120.714 0.214 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.0 p -62.29 -24.48 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.0 m -81.42 -49.36 10.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.534 0.683 . . . . 0.0 109.435 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -63.48 -35.23 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.1 174.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.3 tp -62.07 -39.57 92.87 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 120.809 0.338 . . . . 0.0 110.286 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.61 -44.82 92.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.314 0.578 . . . . 0.0 110.246 -177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.5 -42.59 92.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.899 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.3 tp -58.12 -40.3 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.08 99.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.496 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.6 m -59.45 -43.61 93.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.467 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.1 -47.83 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.889 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -59.27 -44.83 92.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.5 tp -59.46 -45.14 92.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.803 -174.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.1 pt -67.95 -42.45 85.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.861 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -61.45 -40.12 93.34 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.186 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.8 mt -66.21 -46.57 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.925 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.461 -177.245 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo . . . . . 0 N--CA 1.498 1.77 0 N-CA-C 113.145 0.402 . . . . 0.0 113.145 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 t -59.16 -17.92 31.52 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.1 t -77.96 -54.38 6.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.533 0.682 . . . . 0.0 109.44 -173.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 tp -61.34 -32.71 53.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.231 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.74 -37.47 86.68 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.43 174.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.62 -46.01 90.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.208 0.527 . . . . 0.0 110.253 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.24 -41.92 94.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.04 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.84 -40.01 79.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.386 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.73 96.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.746 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.5 m -60.49 -47.19 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 110.525 -177.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.12 -44.01 90.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.114 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.74 -45.61 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.636 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.77 -43.6 90.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.5 -176.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.76 -47.69 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.27 -41.05 87.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -175.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 pt -76.18 -31.5 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.639 0.257 . . . . 0.0 110.442 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 N--CA 1.496 1.67 0 CA-C-O 120.739 0.225 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.6 p -59.41 -16.4 22.99 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.5 m -80.35 -47.74 14.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 -173.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.8 pt -67.83 -30.97 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.34 173.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.68 -41.21 98.98 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.997 0.427 . . . . 0.0 110.024 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.23 -44.6 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.122 0.487 . . . . 0.0 110.328 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.4 tp -61.37 -42.11 98.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.11 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.7 tp -58.97 -40.06 83.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.497 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -53.77 40.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.959 0.409 . . . . 0.0 110.759 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 p -64.05 -49.13 73.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 -173.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 pp -62.18 -41.55 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.73 -174.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -59.24 -48.54 81.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.036 0.445 . . . . 0.0 110.2 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.5 mt -58.08 -43.51 87.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.63 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.23 -47.67 92.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.72 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -59.85 -40.89 90.07 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.54 -174.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -67.93 -47.47 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.364 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--N 1.329 -0.313 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.658 -175.328 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.498 1.764 0 CA-C-O 120.726 0.219 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.1 p -64.29 -11.59 33.32 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -81.44 -49.36 10.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.616 0.722 . . . . 0.0 109.188 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.3 mt -62.45 -40.71 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.153 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.67 -40.65 88.5 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.331 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tt -67.19 -44.8 78.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.246 0.546 . . . . 0.0 110.534 -175.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -60.65 -42.41 96.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.888 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.81 -41.63 87.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.161 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.76 91.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.5 m -62.4 -47.91 82.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.34 -44.49 96.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.48 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.48 -49.84 75.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.074 0.464 . . . . 0.0 110.631 -176.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.8 -48.07 83.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 -173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 tt -65.37 -35.7 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.382 -176.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.49 -43.73 96.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.825 0.345 . . . . 0.0 110.814 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 mm -66.88 -46.71 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.239 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.699 0.285 . . . . 0.0 111.186 -176.169 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo . . . . . 0 N--CA 1.496 1.664 0 CA-C-O 120.719 0.216 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.2 p -57.54 -18.02 17.02 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -174.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 m -81.6 -50.25 9.56 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.651 0.738 . . . . 0.0 109.273 -172.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.9 mm -60.97 -40.97 87.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.304 173.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.0 -37.36 84.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.806 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 tt -64.31 -45.85 86.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.129 0.49 . . . . 0.0 110.246 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.74 -42.98 94.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.858 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.74 -38.29 87.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.87 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.55 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.3 m -61.79 -51.82 66.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 -176.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.0 tp -61.19 -33.47 56.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.577 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -62.82 -52.85 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.643 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.37 -47.16 87.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.009 -175.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.2 mm -62.45 -44.01 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.787 -176.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -59.48 -41.56 90.07 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.033 -175.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.17 -49.09 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.878 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.128 -175.52 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo . . . . . 0 N--CA 1.495 1.576 0 CA-C-O 120.914 0.297 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.3 m -52.97 -28.23 22.8 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -77.05 -55.52 5.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.704 . . . . 0.0 109.654 -169.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.9 tt -61.2 -35.6 66.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.988 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.21 -36.12 83.02 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.699 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -47.14 78.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.003 0.43 . . . . 0.0 110.017 -176.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.39 -42.4 98.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.076 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.1 -40.54 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.416 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.96 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.96 0.41 . . . . 0.0 110.781 -177.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.6 m -61.78 -48.53 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.3 pt -64.11 -36.56 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.46 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -62.95 -50.48 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.192 0.52 . . . . 0.0 110.482 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.3 tp -61.9 -46.79 87.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.964 -174.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.6 tt -65.75 -40.58 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.562 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.37 -39.68 88.1 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.034 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.8 mt -66.34 -50.17 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.571 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.04 -176.377 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo . . . . . 0 N--CA 1.497 1.696 0 N-CA-C 113.112 0.389 . . . . 0.0 113.112 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -61.72 -19.52 62.5 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -175.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.0 t -81.43 -48.94 11.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.674 0.749 . . . . 0.0 109.318 -172.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.39 -39.68 83.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.335 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.61 -39.67 89.02 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.364 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -64.32 -46.48 83.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.309 0.576 . . . . 0.0 110.498 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -59.88 -42.84 94.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.849 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.17 -39.85 79.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.394 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.62 96.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.28 -50.09 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 0.0 110.489 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mm -59.7 -42.02 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.91 -45.39 90.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.143 0.497 . . . . 0.0 110.207 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.16 -42.13 85.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.359 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.27 -43.85 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.927 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -58.56 -39.21 79.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.978 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.8 mt -63.12 -48.56 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.477 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.906 -176.038 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 N--CA 1.497 1.682 0 CA-C-O 120.93 0.304 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -53.89 -26.66 26.09 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -81.57 -48.1 12.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.608 0.718 . . . . 0.0 109.605 -169.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.75 -39.13 82.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.266 173.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.53 -37.66 88.17 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.491 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.57 -45.8 88.8 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.223 0.535 . . . . 0.0 110.26 -177.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -59.67 -43.4 94.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.782 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 tp -57.99 -39.23 77.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.406 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.7 93.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.464 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.8 m -58.5 -47.08 85.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.133 0.492 . . . . 0.0 110.269 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.68 -41.24 81.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.31 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.15 -45.98 89.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.833 0.349 . . . . 0.0 110.683 -177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mp -59.96 -44.59 94.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.4 mm -61.81 -47.05 95.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.548 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -61.94 -44.48 96.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.599 -174.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 tt -69.82 -36.43 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.996 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 C--N 1.332 -0.162 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.664 178.17 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -59.34 150.73 25.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.798 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.79 -35.0 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.333 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.26 -39.39 72.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.742 0.306 . . . . 0.0 110.716 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.01 -37.79 80.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.2 29.79 61.84 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.18 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -134.36 131.05 37.81 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.047 0.424 . . . . 0.0 110.604 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 pt -113.27 156.12 43.55 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.369 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.16 96.89 0.08 OUTLIER 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 121.29 1.326 . . . . 0.0 112.199 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 56.38 82.58 0.24 Allowed Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.509 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.68 148.61 81.6 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.288 1.325 . . . . 0.0 112.061 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -56.09 -58.01 1.24 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 121.249 1.3 . . . . 0.0 111.822 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.7 p -62.84 -15.03 52.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.4 p -81.53 -49.14 10.92 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.612 0.72 . . . . 0.0 109.082 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.34 -41.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.214 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 tt -59.36 -39.84 84.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.963 0.411 . . . . 0.0 110.396 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.7 -43.57 96.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.148 0.499 . . . . 0.0 110.359 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -59.29 -42.7 91.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.811 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.57 -39.14 86.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.91 90.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.784 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.5 m -61.85 -47.5 84.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.739 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.6 pt -63.83 -37.94 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.333 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -62.74 -50.24 71.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.526 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.48 -44.44 94.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.74 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.29 -45.11 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.429 -0.509 . . . . 0.0 111.616 -175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -64.34 -43.01 95.95 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.818 -177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -69.46 -37.93 76.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.564 -0.455 . . . . 0.0 111.864 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.27 -44.32 92.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.771 0.32 . . . . 0.0 110.829 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.42 87.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.261 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 52.07 23.19 2.13 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -56.7 -39.25 73.5 Favored 'General case' 0 C--N 1.333 -0.118 0 O-C-N 122.187 -0.321 . . . . 0.0 110.686 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.46 96.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.729 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.93 -40.62 89.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.811 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -65.01 -44.21 89.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.328 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.09 91.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.152 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.21 -33.29 72.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.421 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.1 -36.23 70.36 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.091 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -55.18 -37.09 66.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.629 0.252 . . . . 0.0 111.185 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -104.48 140.14 38.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.828 0.347 . . . . 0.0 110.425 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.56 68.99 0.02 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 58.91 43.89 17.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.297 0.57 . . . . 0.0 110.522 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -65.29 153.16 90.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.559 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -81.25 -52.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.439 1.426 . . . . 0.0 112.207 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.99 -175.39 46.64 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 m -122.8 139.93 53.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.797 0.332 . . . . 0.0 110.36 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.0 m170 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.54 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -58.59 -28.12 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.8 tp -56.74 -38.32 72.24 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.85 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.9 tp -58.91 -40.16 83.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 110.651 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.57 -38.93 92.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.944 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.16 67.76 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 121.275 -0.488 . . . . 0.0 111.937 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -117.09 137.69 52.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.139 0.469 . . . . 0.0 110.651 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.89 137.79 21.96 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.9 99.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.217 1.278 . . . . 0.0 112.206 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 56.86 84.98 0.2 Allowed Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.533 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.29 142.43 96.07 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.206 1.271 . . . . 0.0 111.736 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.73 -61.38 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.268 1.312 . . . . 0.0 111.631 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 t -58.86 -16.85 19.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.4 t -80.83 -53.71 6.24 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.531 0.681 . . . . 0.0 109.541 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 tt -63.15 -36.16 74.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.03 174.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.9 tp -63.01 -39.05 93.61 Favored 'General case' 0 C--N 1.334 -0.086 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.389 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 tt -64.11 -44.66 91.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.145 0.498 . . . . 0.0 110.237 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.78 -42.5 93.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.927 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.1 tp -58.23 -40.14 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.389 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.67 93.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.675 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.0 m -59.36 -46.93 87.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.107 0.48 . . . . 0.0 110.348 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.49 -43.08 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.113 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.95 -45.37 90.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.437 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.5 mt -57.76 -43.36 85.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.7 mm -62.35 -45.05 99.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.641 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -58.32 -40.24 81.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.975 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.13 -49.32 68.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 tp -59.22 -33.72 71.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.713 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.33 -28.23 0.8 Allowed 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -169.6 -39.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.36 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -54.41 -41.46 69.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 111.416 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.9 75.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.168 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.02 -39.1 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.294 -175.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -67.02 -46.28 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.626 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.92 85.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.443 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.18 83.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.662 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.17 -58.06 3.73 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.262 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -60.51 -40.59 91.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.183 -177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -113.64 135.52 53.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.844 0.354 . . . . 0.0 110.673 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.68 -2.44 86.82 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 121.129 -0.557 . . . . 0.0 113.416 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -111.49 146.63 36.93 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.08 0.94 . . . . 0.0 110.527 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -72.66 153.34 91.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.475 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -86.59 107.39 0.78 Allowed 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.664 1.576 . . . . 0.0 112.255 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.56 -160.03 37.29 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -132.98 157.02 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.349 . . . . 0.0 110.701 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.3 m80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.624 -179.664 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -58.13 -29.44 65.53 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.73 -37.92 83.38 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.647 0.261 . . . . 0.0 111.021 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tt -59.38 -39.39 83.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.73 0.3 . . . . 0.0 110.639 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -60.05 -33.43 72.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.498 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.93 40.83 9.09 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.55 143.21 48.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.617 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 pt -99.73 156.44 35.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.225 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.76 92.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.261 1.307 . . . . 0.0 111.66 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -61.21 164.79 7.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.807 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -87.42 108.75 0.68 Allowed 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.829 1.686 . . . . 0.0 111.537 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.08 -60.25 0.69 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.308 1.339 . . . . 0.0 112.296 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.5 p -56.67 -19.24 15.43 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 t -81.41 -53.12 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.4 0.619 . . . . 0.0 109.432 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.3 pt -61.97 -32.86 55.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.184 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.81 -37.14 86.61 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.565 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -46.55 88.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.097 0.475 . . . . 0.0 110.011 -177.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.81 -42.44 97.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.052 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -58.79 -39.5 81.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.57 81.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 110.809 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.5 m -61.71 -51.39 68.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.037 0.446 . . . . 0.0 110.557 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.7 tt -61.86 -35.7 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.315 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -62.34 -48.17 81.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.005 0.431 . . . . 0.0 110.394 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.68 -42.07 87.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.4 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.34 -43.54 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.965 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.62 -39.21 79.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.77 -48.67 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.972 0.415 . . . . 0.0 110.29 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.23 -42.27 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.883 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.56 87.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.279 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.94 11.47 1.44 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -56.63 -39.14 73.13 Favored 'General case' 0 C--O 1.23 0.066 0 O-C-N 122.048 -0.408 . . . . 0.0 110.687 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.24 94.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.893 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.36 -40.54 91.12 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.76 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -65.77 -45.36 82.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.452 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.31 93.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.38 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.15 75.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.38 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.8 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.298 . . . . 0.0 110.971 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 -66.8 -50.4 62.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.085 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -127.4 148.82 50.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.653 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.99 179.92 53.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -101.83 123.79 46.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.603 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -75.05 152.36 86.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.523 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -88.17 130.06 2.45 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.724 1.616 . . . . 0.0 112.497 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.19 170.7 45.17 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.9 m -127.39 142.4 51.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.489 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.7 m80 . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.474 179.589 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.1 ttp-105 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -59.26 150.24 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.43 -36.88 81.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.99 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.32 -37.2 77.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.062 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.21 -37.51 77.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.679 0.276 . . . . 0.0 110.979 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.06 34.94 40.2 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.709 -0.557 . . . . 0.0 111.709 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -103.25 132.71 49.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.805 0.336 . . . . 0.0 110.351 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.9 mm -113.22 144.65 31.61 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -90.11 81.46 0.56 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.581 1.521 . . . . 0.0 111.771 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -52.1 -55.91 26.72 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 119.049 -0.501 . . . . 0.0 111.407 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -41.46 95.86 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.182 1.921 . . . . 0.0 113.371 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -62.75 -69.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.283 1.322 . . . . 0.0 112.514 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.8 p -61.35 -15.65 38.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 m -81.34 -51.86 7.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.367 0.603 . . . . 0.0 109.401 -172.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.6 tt -64.31 -35.9 75.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.091 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.48 -40.0 92.96 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.277 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.26 -45.21 85.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.175 0.512 . . . . 0.0 110.478 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.82 -42.38 97.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.003 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.05 -40.57 85.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.17 71.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.982 0.42 . . . . 0.0 110.697 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.2 m -61.72 -51.15 69.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.636 -174.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.82 -37.64 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.178 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.69 -52.17 66.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.258 0.551 . . . . 0.0 110.404 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.39 -43.39 97.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.582 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.3 pt -67.59 -42.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.522 -0.471 . . . . 0.0 112.065 -173.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -63.75 -39.77 95.09 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.511 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.8 mt -66.9 -45.8 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.039 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.96 -43.66 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.778 -176.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.8 85.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.35 3.62 1.45 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -58.51 -39.99 81.62 Favored 'General case' 0 C--O 1.231 0.116 0 O-C-N 121.894 -0.504 . . . . 0.0 110.734 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.79 87.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.88 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 mp -61.36 -40.22 93.48 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.307 -176.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -65.2 -46.47 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.317 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.91 98.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.385 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.16 81.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.226 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.88 -39.51 93.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.022 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.3 t-105 -59.24 -37.96 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.316 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -106.68 149.37 27.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.939 0.4 . . . . 0.0 110.991 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.76 39.31 14.16 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.15 -36.73 71.08 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.045 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -122.42 160.25 49.01 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.388 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -84.06 -34.23 0.28 Allowed 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.543 1.495 . . . . 0.0 112.085 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.6 33.87 41.46 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.5 p -126.6 162.63 25.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.721 0.296 . . . . 0.0 110.389 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.2 m80 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.531 179.832 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m 58.93 111.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.141 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.3 mp -61.21 -35.79 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.285 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.09 -37.8 77.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.616 0.246 . . . . 0.0 111.05 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.15 -39.85 93.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.738 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.33 36.92 93.31 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -101.11 126.7 47.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.389 . . . . 0.0 110.837 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.9 pt -113.51 157.44 41.37 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.346 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.3 83.35 0.8 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.261 1.307 . . . . 0.0 111.836 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -66.89 155.37 90.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.45 159.99 12.23 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.334 1.356 . . . . 0.0 111.888 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -50.77 -69.32 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.455 1.436 . . . . 0.0 111.935 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 t -57.56 -17.9 16.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.0 m -81.39 -51.47 8.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.499 0.666 . . . . 0.0 109.554 -171.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.7 tt -65.04 -34.12 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.23 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.74 -39.43 94.27 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.124 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tt -64.33 -45.27 88.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.276 0.56 . . . . 0.0 110.142 -177.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.29 -42.54 95.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.896 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.9 -40.07 79.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.371 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.33 89.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.004 0.43 . . . . 0.0 110.635 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.7 m -60.95 -47.91 84.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.9 -43.12 87.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.166 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.34 -46.27 89.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.977 0.418 . . . . 0.0 110.497 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -43.11 93.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.218 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.59 -46.97 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.474 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.18 -43.66 98.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.501 -173.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -70.07 -35.63 64.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.662 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 tp -62.52 -40.63 97.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.827 0.346 . . . . 0.0 110.691 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -26.2 65.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.228 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.0 -39.16 68.77 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -57.29 -40.8 78.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 110.412 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.76 98.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.539 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.0 tp -59.98 -40.37 88.93 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.794 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -62.76 -44.18 96.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.28 94.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.51 -29.77 70.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.821 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.84 -32.75 63.89 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -54.32 -35.93 63.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.614 0.245 . . . . 0.0 111.421 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -117.24 141.91 47.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.767 0.318 . . . . 0.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.15 65.09 3.93 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -58.57 -37.33 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.646 0.26 . . . . 0.0 111.075 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.85 68.69 2.01 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -49.7 146.9 14.59 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.333 1.355 . . . . 0.0 112.01 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.46 -165.75 41.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 m -78.68 137.51 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.515 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.0 t60 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.528 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m -57.04 -31.24 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.731 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.19 -40.01 80.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.708 0.29 . . . . 0.0 110.523 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -38.64 84.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.477 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -58.55 -33.6 70.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.301 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 110.19 22.86 6.31 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 121.34 -0.457 . . . . 0.0 113.054 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -118.18 152.65 35.25 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 117.462 0.631 . . . . 0.0 110.4 175.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 tt -95.09 143.2 25.7 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-O 118.865 -0.588 . . . . 0.0 109.752 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -58.13 91.39 0.06 OUTLIER 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 121.215 1.276 . . . . 0.0 111.971 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -122.99 84.41 50.68 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.226 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -43.26 99.08 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.983 1.789 . . . . 0.0 113.339 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.8 -48.35 7.1 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.207 1.271 . . . . 0.0 111.902 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 p -63.54 -22.33 66.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 m -78.53 -50.26 11.89 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.7 mm -59.5 -39.02 78.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.514 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.83 -38.17 78.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.388 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -61.85 -45.58 93.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 110.374 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.69 -43.06 94.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.942 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.36 -38.84 85.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.603 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.36 88.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.75 -176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.4 m -60.27 -47.84 84.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 0.0 110.499 -177.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -59.76 -44.43 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.433 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.85 -49.51 77.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 110.825 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.51 -44.8 96.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.086 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.2 pt -66.98 -37.92 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.703 -175.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -61.13 -40.05 92.35 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.831 -0.347 . . . . 0.0 110.989 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.9 mt -65.28 -47.79 85.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.748 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.71 -36.53 81.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.607 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.22 66.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.96 39.79 1.04 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.012 0.434 . . . . 0.0 111.187 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.4 p -57.45 -37.86 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.844 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.9 -46.95 85.43 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.796 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.45 -39.42 87.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.072 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -63.06 -46.67 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.071 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.13 84.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.427 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.48 -34.18 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.844 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.75 -58.05 8.06 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.204 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 99.8 m95 -65.59 -43.9 88.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.153 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -127.26 147.47 50.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.691 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.34 -175.68 50.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -96.27 115.04 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.479 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -132.46 84.13 52.31 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.352 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -80.36 178.63 6.89 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.526 1.484 . . . . 0.0 112.184 -178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.88 -22.84 38.49 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.533 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.1 p -122.18 161.08 23.84 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 117.572 0.686 . . . . 0.0 110.343 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.2 m80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.523 -179.619 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 p -59.33 149.07 29.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.595 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.14 -35.65 79.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.35 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.34 -39.04 78.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.642 0.258 . . . . 0.0 110.791 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -60.01 -41.51 92.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.446 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.43 -38.05 3.23 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -137.99 163.62 31.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 110.714 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.9 mt -76.22 142.77 72.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -80.91 76.84 4.31 Favored 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 121.077 1.185 . . . . 0.0 111.542 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.68 -53.15 0.12 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.821 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -48.34 149.43 6.52 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.263 1.309 . . . . 0.0 112.476 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.66 -63.28 0.14 Allowed 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.321 1.347 . . . . 0.0 112.033 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.7 p -58.73 -17.38 22.51 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.3 t -80.55 -52.31 7.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.58 0.705 . . . . 0.0 109.423 -172.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.6 tt -64.81 -35.05 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.162 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.87 -37.76 88.57 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.726 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.74 -45.13 79.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.971 0.415 . . . . 0.0 110.678 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.68 -42.96 94.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.914 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.22 -40.2 89.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.13 85.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.949 0.404 . . . . 0.0 110.694 -176.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.71 -51.64 66.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.713 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.8 tt -62.52 -35.57 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.565 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -65.71 -52.31 52.37 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.631 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.4 -47.08 86.8 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.311 -175.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 tt -64.83 -36.65 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.455 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -61.1 -43.49 98.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.7 mm -66.32 -47.35 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.87 -40.38 88.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.37 . . . . 0.0 110.979 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.81 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.72 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.94 -43.48 81.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.73 0.3 . . . . 0.0 110.724 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.3 p -58.91 -39.11 80.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.555 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.13 96.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.713 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.96 -39.5 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.028 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -63.84 -45.68 88.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.007 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.08 97.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.825 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.35 70.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.823 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.82 -37.64 68.95 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.062 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -56.7 -37.9 71.55 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.892 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -98.7 153.4 18.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.331 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.87 32.37 4.32 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.184 -0.532 . . . . 0.0 111.972 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -88.26 17.38 5.22 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -125.25 82.92 61.64 Favored Pre-proline 0 CA--C 1.532 0.268 0 O-C-N 122.187 -0.32 . . . . 0.0 110.441 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.38 -167.96 0.57 Allowed 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.485 1.456 . . . . 0.0 112.049 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.81 -56.04 0.32 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -135.36 157.68 46.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.372 . . . . 0.0 110.665 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.9 t60 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.612 179.79 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.0 ttt85 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -57.06 144.36 34.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.061 0.458 . . . . 0.0 111.103 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.8 mt -68.11 -33.62 74.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.545 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.8 tp -56.68 -37.8 71.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.748 0.309 . . . . 0.0 110.997 -176.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.65 -37.45 81.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.914 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.05 32.49 60.54 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.223 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -114.37 139.36 49.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.974 0.387 . . . . 0.0 110.357 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.41 HD13 HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -105.77 128.14 27.06 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-O 118.488 -0.768 . . . . 0.0 109.133 -179.798 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.26 89.56 0.47 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 CA-C-N 120.563 1.237 . . . . 0.0 111.727 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -51.04 -49.07 83.16 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.646 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -93.67 92.11 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.74 1.627 . . . . 0.0 111.908 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -55.97 -64.79 0.12 Allowed 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 121.385 1.39 . . . . 0.0 112.684 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 p -60.91 -20.09 61.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -81.61 -51.46 8.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.527 0.68 . . . . 0.0 109.418 -171.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.2 tp -63.76 -35.12 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.14 174.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.87 -40.14 94.33 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.946 0.403 . . . . 0.0 110.206 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.64 -45.2 87.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.249 0.547 . . . . 0.0 110.38 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.3 -42.89 96.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.992 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -40.41 83.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.05 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.0 -47.72 83.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.598 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.3 m -59.3 -47.39 85.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.045 0.45 . . . . 0.0 110.402 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.9 -43.32 88.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.226 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -60.8 -48.67 80.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.844 0.354 . . . . 0.0 110.801 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.96 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.7 -48.5 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.455 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -60.7 -39.33 88.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.614 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.8 pt -76.13 -32.34 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.969 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.9 tp -62.59 -44.79 95.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.895 0.379 . . . . 0.0 110.22 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.71 79.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.729 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.97 -2.77 41.67 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -53.76 -38.23 64.21 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.872 -0.517 . . . . 0.0 111.184 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.72 -47.07 86.94 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.699 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.2 tp -60.14 -39.35 86.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.024 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -63.68 -45.44 90.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.936 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.35 94.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.706 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.17 82.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.99 -40.07 83.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 111.115 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -59.32 -34.62 72.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.663 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -117.21 161.73 19.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.855 0.36 . . . . 0.0 110.947 -176.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.06 -172.38 40.01 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -70.08 144.5 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.217 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -126.33 79.94 69.65 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.236 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -81.8 158.89 18.74 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 121.496 1.464 . . . . 0.0 112.268 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.54 37.12 3.48 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.7 t -135.18 159.51 41.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.719 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.5 m80 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.497 -179.832 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 m -57.62 147.17 28.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.805 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -14.0 61.51 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.26 -37.57 75.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 118.0 0.364 . . . . 0.0 111.05 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.91 -39.45 92.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.811 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.73 32.21 80.66 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 121.204 -0.522 . . . . 0.0 111.998 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -141.71 96.08 2.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.894 0.347 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.4 pt -113.33 155.22 44.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.415 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -87.6 77.15 1.86 Allowed 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.579 1.519 . . . . 0.0 111.764 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -106.43 -55.28 0.07 OUTLIER Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.25 -177.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.32 139.99 53.43 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.117 1.211 . . . . 0.0 112.145 -172.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.42 -46.82 19.23 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.288 1.325 . . . . 0.0 111.587 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 t -60.87 -24.26 65.79 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.6 m -81.32 -51.21 8.61 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.397 0.618 . . . . 0.0 109.412 -171.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 tt -62.27 -36.75 76.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.933 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.51 -39.57 93.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.259 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.72 -44.92 94.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.351 -176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.57 -42.57 92.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.963 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.86 -40.41 84.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.347 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.53 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.1 m -60.33 -47.86 84.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.401 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.9 mt -58.43 -45.72 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.22 0.533 . . . . 0.0 110.071 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.07 -47.74 84.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.207 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.34 -42.19 81.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.579 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.6 mt -62.01 -44.63 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -58.84 -43.16 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.904 -173.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.8 mp -76.58 -33.33 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.959 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.1 tp -56.78 -39.46 74.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 110.82 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.58 -42.69 83.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.316 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.4 -23.12 61.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.315 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -53.57 -36.06 61.47 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 122.081 -0.387 . . . . 0.0 111.465 -175.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.53 -53.28 59.89 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.85 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.38 -38.85 85.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 111.121 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -63.42 -44.76 93.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.242 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.1 98.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.62 85.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.536 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.19 90.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.947 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -56.05 -37.29 69.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.179 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -71.93 153.53 41.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.748 0.309 . . . . 0.0 110.65 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.21 -21.67 42.25 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.725 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -99.01 121.08 40.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.572 0.686 . . . . 0.0 110.531 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -76.07 139.73 69.32 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-O 118.864 -0.589 . . . . 0.0 109.882 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.41 156.7 3.82 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 121.408 1.405 . . . . 0.0 111.651 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.8 -172.74 38.74 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -80.33 162.79 24.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.56 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.7 m80 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.687 -179.786 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.7 mtp-105 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 p -60.39 149.44 33.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.877 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.25 -30.49 71.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.805 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.2 mt -57.6 -32.62 67.37 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.84 -43.59 90.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.889 0.376 . . . . 0.0 110.069 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.48 -38.15 2.62 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-N 115.978 -0.555 . . . . 0.0 113.069 174.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -107.03 144.68 33.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.498 0.649 . . . . 0.0 111.39 -174.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.3 tt -108.89 140.67 22.1 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -85.6 85.27 1.16 Allowed 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 121.385 1.39 . . . . 0.0 112.581 -176.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 57.62 89.63 0.1 Allowed Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.462 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.33 143.18 35.06 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.256 1.304 . . . . 0.0 111.671 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.8 -62.05 0.11 Allowed 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.226 1.284 . . . . 0.0 112.196 -174.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 t -57.53 -23.24 49.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m -79.05 -54.24 6.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.388 0.613 . . . . 0.0 109.53 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 tt -61.77 -36.27 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.861 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.58 -39.18 87.12 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.86 0.362 . . . . 0.0 110.273 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -46.89 80.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 0.0 110.195 -175.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.26 -43.47 96.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.774 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.69 -38.65 82.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.7 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.21 94.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.926 0.393 . . . . 0.0 110.682 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.3 m -60.75 -47.59 85.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.6 -44.44 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.145 -177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.34 -45.88 91.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.789 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 tp -59.12 -44.0 91.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.628 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.37 -49.06 85.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.09 -44.31 97.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.449 -173.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 tt -70.98 -39.61 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -175.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.01 -38.66 86.36 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.551 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.32 -37.31 77.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.625 -0.262 . . . . 0.0 111.326 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.66 38.5 3.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.027 0.441 . . . . 0.0 110.95 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.0 t -55.56 -39.48 70.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.773 0.321 . . . . 0.0 110.981 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.75 -47.38 85.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.941 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mp -61.62 -39.85 92.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.274 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -64.39 -43.61 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.267 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.32 94.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.009 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.52 97.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.909 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.75 -37.91 89.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.065 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.15 -35.84 67.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.369 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -68.39 134.63 50.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.957 0.408 . . . . 0.0 110.519 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.16 -108.8 0.38 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -99.05 124.9 44.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.271 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -126.26 82.73 65.17 Favored Pre-proline 0 C--O 1.234 0.26 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.418 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.52 112.81 2.77 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.536 1.491 . . . . 0.0 112.172 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.41 179.48 40.91 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.9 m -125.81 141.91 51.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 0.0 110.637 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.435 179.178 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -58.36 -27.7 64.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.08 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.77 -35.98 73.65 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 120.497 0.189 . . . . 0.0 111.152 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -58.87 -36.57 74.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.604 0.24 . . . . 0.0 111.208 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.16 -38.35 86.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.651 0.263 . . . . 0.0 110.994 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.92 37.82 74.78 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -108.06 152.1 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.929 0.395 . . . . 0.0 110.804 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.9 mt -113.22 96.9 40.99 Favored Pre-proline 0 CA--C 1.533 0.312 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.77 89.85 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.326 1.351 . . . . 0.0 112.407 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -53.35 -49.74 86.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.363 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -94.9 95.26 0.11 Allowed 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 122.098 1.865 . . . . 0.0 112.758 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.09 -45.74 22.27 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.347 1.364 . . . . 0.0 112.096 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.6 p -62.33 -25.62 67.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.9 p -78.88 -47.09 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.482 0.658 . . . . 0.0 109.458 -172.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.7 pt -65.26 -33.52 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.985 172.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.72 -38.96 83.11 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.834 0.349 . . . . 0.0 110.211 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.5 tp -68.42 -48.91 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.93 0.395 . . . . 0.0 110.758 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.3 -44.97 94.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 0.0 109.924 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.91 -38.23 90.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.606 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.72 85.01 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.222 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.4 p -64.26 -41.55 96.88 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.14 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.85 -47.24 92.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.975 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -61.62 -46.89 87.9 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.847 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.38 -46.28 89.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.689 -173.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.6 pt -68.13 -36.77 76.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.507 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.76 -41.71 95.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.823 0.344 . . . . 0.0 110.793 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.73 -50.98 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.754 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.24 -37.69 88.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.926 -174.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.4 -54.83 42.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 173.62 -24.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -52.52 -36.4 55.36 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 122.137 -0.352 . . . . 0.0 111.534 -175.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.48 -51.9 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 111.035 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.61 -39.13 87.05 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.043 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -65.12 -47.26 77.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 111.339 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.73 94.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.586 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.64 78.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.92 -58.6 3.66 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.482 -175.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.0 t90 -65.84 -46.59 77.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -127.46 167.9 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.334 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.43 -146.87 18.46 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 62.0 103.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 110.391 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 tttt 62.02 72.22 0.66 Allowed Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.332 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.35 128.22 18.92 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 121.314 1.343 . . . . 0.0 111.963 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.87 -36.31 66.04 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -120.54 139.64 52.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.603 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.552 179.622 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m -56.91 -31.22 64.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.779 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.0 tp -56.91 -39.82 75.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.687 0.279 . . . . 0.0 110.772 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.07 -39.01 84.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.78 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.67 -35.2 77.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.317 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.24 1.43 59.4 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.41 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -109.83 146.32 35.25 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.143 0.972 . . . . 0.0 110.376 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -113.49 160.41 31.71 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.505 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -54.11 96.98 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.21 1.273 . . . . 0.0 111.605 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -56.69 151.74 29.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.666 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -57.83 159.56 17.31 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.265 1.31 . . . . 0.0 112.282 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.89 -56.99 1.95 Allowed 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.375 1.383 . . . . 0.0 111.64 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.9 p -58.9 -16.73 18.96 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.7 m -81.45 -48.91 11.26 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -174.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.5 mt -58.53 -39.87 76.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.461 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.85 -36.28 82.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.79 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.05 -45.87 91.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.027 0.442 . . . . 0.0 110.381 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.14 -42.64 95.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.891 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.4 tp -58.14 -41.67 84.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.167 0.508 . . . . 0.0 110.218 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.56 99.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.817 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.1 m -60.15 -44.99 94.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.794 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.13 -52.48 60.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.253 0.549 . . . . 0.0 110.003 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -62.08 -41.47 98.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.6 tp -61.21 -44.4 97.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.098 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.8 pt -68.03 -40.82 83.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.658 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.15 -41.18 92.22 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.785 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -71.47 -40.79 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 tp -58.8 -38.88 79.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.336 -175.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.27 -32.94 51.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.908 -176.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.64 -65.6 1.17 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.076 0.465 . . . . 0.0 111.68 -176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 t -53.7 -43.74 69.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.648 -173.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.6 96.84 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.034 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.34 -40.86 83.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.621 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -69.68 -47.96 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.809 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.63 75.93 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.43 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.6 0.238 . . . . 0.0 111.304 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.75 93.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.679 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -60.58 -37.28 80.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.308 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -103.49 -178.27 3.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.779 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.74 -176.55 33.68 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -58.81 -41.53 87.0 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.978 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.9 mptt 52.22 74.81 0.72 Allowed Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.842 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.93 97.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.541 1.494 . . . . 0.0 112.577 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.54 -174.84 44.62 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 m -78.14 137.47 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.345 . . . . 0.0 110.386 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.573 -179.689 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.0 p -58.21 -28.62 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.44 -35.43 77.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.505 0.193 . . . . 0.0 111.468 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.7 mt -58.78 -40.01 82.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.762 0.315 . . . . 0.0 110.78 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.7 mp0 -67.56 -36.56 81.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.173 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.27 36.86 49.47 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -112.24 154.91 24.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.787 0.327 . . . . 0.0 110.54 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.0 pt -110.92 160.58 28.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.387 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -84.56 79.8 2.41 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 121.556 1.504 . . . . 0.0 112.157 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -50.92 -50.01 77.0 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -90.66 108.63 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.08 1.853 . . . . 0.0 111.815 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.16 -50.84 12.61 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 121.344 1.363 . . . . 0.0 112.437 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.0 p -62.29 -24.48 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.0 m -81.42 -49.36 10.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.534 0.683 . . . . 0.0 109.435 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -63.48 -35.23 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.1 174.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.3 tp -62.07 -39.57 92.87 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 120.809 0.338 . . . . 0.0 110.286 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.61 -44.82 92.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.314 0.578 . . . . 0.0 110.246 -177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.5 -42.59 92.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.899 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.3 tp -58.12 -40.3 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.08 99.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.496 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.6 m -59.45 -43.61 93.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.467 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.1 -47.83 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.889 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -59.27 -44.83 92.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.5 tp -59.46 -45.14 92.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.803 -174.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.1 pt -67.95 -42.45 85.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.861 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -61.45 -40.12 93.34 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.186 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.8 mt -66.21 -46.57 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.925 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.05 -42.38 90.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.461 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.54 89.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.74 40.29 1.83 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.26 0.552 . . . . 0.0 110.589 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 m -54.47 -38.06 65.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.135 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.77 84.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.576 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.59 -37.95 83.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.041 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -62.48 -43.84 97.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.029 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.85 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.344 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.54 -35.28 77.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.176 176.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.05 -29.3 69.65 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -52.3 -35.74 51.27 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.493 0.187 . . . . 0.0 111.485 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -105.15 134.8 47.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.8 0.334 . . . . 0.0 110.387 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.62 137.5 3.66 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.03 -38.92 77.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.663 0.268 . . . . 0.0 111.084 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -69.2 151.66 96.95 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.561 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -56.91 164.4 6.21 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.315 1.344 . . . . 0.0 111.878 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.41 -37.5 74.71 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 m -88.28 137.45 32.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.457 179.783 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.6 ttm105 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -58.25 -28.31 64.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.093 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.16 -37.3 79.74 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.634 0.254 . . . . 0.0 111.401 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.29 -39.74 83.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.763 0.316 . . . . 0.0 111.009 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -67.13 -34.84 78.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.545 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.57 -14.44 60.64 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.011 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -98.52 144.01 28.32 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.767 0.783 . . . . 0.0 110.342 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 tp -82.38 140.05 45.04 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -84.6 77.06 3.19 Favored 'Trans proline' 0 N--CA 1.488 1.195 0 C-N-CA 121.218 1.278 . . . . 0.0 111.69 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 58.09 95.32 0.05 OUTLIER Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.468 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -45.76 -44.39 18.03 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.444 1.429 . . . . 0.0 114.372 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -44.1 -68.7 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.406 1.404 . . . . 0.0 113.145 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 t -59.16 -17.92 31.52 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.1 t -77.96 -54.38 6.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.533 0.682 . . . . 0.0 109.44 -173.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 tp -61.34 -32.71 53.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.231 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.74 -37.47 86.68 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.43 174.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.62 -46.01 90.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.208 0.527 . . . . 0.0 110.253 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.24 -41.92 94.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.04 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.84 -40.01 79.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.386 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.73 96.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.746 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.5 m -60.49 -47.19 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 110.525 -177.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.12 -44.01 90.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.114 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.74 -45.61 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.636 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.77 -43.6 90.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.5 -176.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.76 -47.69 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.27 -41.05 87.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -175.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 pt -76.18 -31.5 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -40.61 98.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.639 0.257 . . . . 0.0 110.442 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.91 81.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.629 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.18 90.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.047 0.451 . . . . 0.0 110.623 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.3 m -56.52 -38.26 71.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.748 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.75 93.07 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.749 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.08 -40.51 89.79 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.855 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -65.7 -44.94 84.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.385 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.53 93.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.209 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.79 80.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.812 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.21 -41.18 97.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.45 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -96.51 16.3 19.12 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -89.53 135.56 33.53 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.83 0.348 . . . . 0.0 110.461 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.48 -108.1 0.2 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -58.87 -35.93 73.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.445 0.164 . . . . 0.0 111.412 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.88 150.69 67.71 Favored Pre-proline 0 CA--C 1.532 0.253 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.556 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -89.06 92.53 0.36 Allowed 'Trans proline' 0 N--CA 1.489 1.255 0 C-N-CA 121.711 1.607 . . . . 0.0 112.382 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.88 -159.68 38.14 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.3 p -118.89 162.29 18.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.766 0.317 . . . . 0.0 110.498 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.1 m80 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.586 -179.837 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -56.92 -30.48 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.865 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.91 -39.27 71.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 110.873 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.37 -37.51 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.061 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.57 -35.47 74.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.27 38.19 15.75 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.53 144.31 37.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.32 . . . . 0.0 110.58 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -72.97 155.4 90.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.151 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -79.85 76.95 4.27 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.236 1.29 . . . . 0.0 112.036 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 58.49 166.01 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.173 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -70.95 151.0 61.87 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.475 1.45 . . . . 0.0 111.967 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.0 -67.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.369 1.379 . . . . 0.0 112.147 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.6 p -59.41 -16.4 22.99 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.5 m -80.35 -47.74 14.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 -173.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.8 pt -67.83 -30.97 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.34 173.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.68 -41.21 98.98 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.997 0.427 . . . . 0.0 110.024 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.23 -44.6 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.122 0.487 . . . . 0.0 110.328 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.4 tp -61.37 -42.11 98.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.11 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.7 tp -58.97 -40.06 83.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.497 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -53.77 40.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.959 0.409 . . . . 0.0 110.759 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 p -64.05 -49.13 73.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 -173.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 pp -62.18 -41.55 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.73 -174.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -59.24 -48.54 81.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.036 0.445 . . . . 0.0 110.2 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.5 mt -58.08 -43.51 87.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.63 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.23 -47.67 92.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.72 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -59.85 -40.89 90.07 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.54 -174.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -67.93 -47.47 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.364 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.49 -41.0 98.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.658 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.2 -54.77 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.325 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 172.79 86.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.033 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 84.6 p -56.31 -37.55 70.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.117 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.12 -57.94 8.91 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.251 -176.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.95 -37.71 80.36 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.326 -175.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 40.4 t-105 -64.82 -47.45 77.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.773 0.321 . . . . 0.0 111.232 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.96 94.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.393 -177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.01 -36.46 77.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.303 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 -40.18 95.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.857 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -61.28 -35.08 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.597 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -101.02 139.59 36.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.983 0.42 . . . . 0.0 111.012 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.76 117.7 0.61 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.3 151.11 30.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.818 0.342 . . . . 0.0 110.638 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -67.51 152.95 95.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.544 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -86.23 108.32 0.89 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 121.642 1.561 . . . . 0.0 112.123 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.76 -38.35 72.7 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.1 p -125.71 161.94 26.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.759 0.314 . . . . 0.0 110.389 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.514 179.761 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -60.62 149.33 35.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.615 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.95 -38.06 84.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.989 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.0 tp -58.87 -35.51 73.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.211 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.32 -36.54 73.53 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.162 -177.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.59 48.89 12.12 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -54.25 143.69 22.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.002 0.429 . . . . 0.0 111.218 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 86.7 mt -109.79 143.4 27.81 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -47.26 97.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 121.433 1.422 . . . . 0.0 112.478 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -80.73 -54.09 0.79 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.983 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -43.37 -47.58 8.93 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.555 1.504 . . . . 0.0 114.765 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.04 -69.17 0.08 OUTLIER 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 120.971 1.114 . . . . 0.0 111.932 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.1 p -64.29 -11.59 33.32 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -81.44 -49.36 10.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.616 0.722 . . . . 0.0 109.188 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.3 mt -62.45 -40.71 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.153 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.67 -40.65 88.5 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.331 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tt -67.19 -44.8 78.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.246 0.546 . . . . 0.0 110.534 -175.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -60.65 -42.41 96.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.888 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.81 -41.63 87.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.161 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.76 91.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.5 m -62.4 -47.91 82.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.34 -44.49 96.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.48 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.48 -49.84 75.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.074 0.464 . . . . 0.0 110.631 -176.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.8 -48.07 83.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 -173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 tt -65.37 -35.7 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.382 -176.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.49 -43.73 96.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.825 0.345 . . . . 0.0 110.814 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 mm -66.88 -46.71 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.239 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.21 -39.77 87.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.699 0.285 . . . . 0.0 111.186 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.53 -48.24 80.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.102 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 52.49 34.94 16.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 111.53 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -55.46 -38.23 68.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.192 -176.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.76 -52.42 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.998 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.51 -39.37 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.137 -177.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -63.75 -45.06 91.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.355 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.16 87.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.158 -177.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.42 96.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.858 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.0 80.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.409 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -56.37 -44.16 79.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.051 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -127.13 136.69 52.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.831 0.348 . . . . 0.0 110.812 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.42 164.95 29.68 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 54.73 95.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.729 0.3 . . . . 0.0 111.027 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 153.66 22.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.61 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.69 -24.4 11.81 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.368 1.379 . . . . 0.0 112.937 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.68 -35.48 52.38 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.624 -0.591 . . . . 0.0 111.624 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -120.71 139.05 53.62 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.791 0.329 . . . . 0.0 110.331 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.4 m170 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.599 -179.768 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 m -56.76 -30.77 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.847 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt -57.32 -38.31 73.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.619 0.247 . . . . 0.0 110.914 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.51 -40.96 88.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.549 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.12 -36.58 82.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.24 34.48 41.0 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 121.162 -0.542 . . . . 0.0 111.926 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -122.04 165.7 15.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.927 0.363 . . . . 0.0 110.696 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.65 158.16 42.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -80.2 76.71 4.39 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.029 1.153 . . . . 0.0 111.788 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.63 165.36 7.55 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.668 176.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.34 103.16 1.49 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.453 1.435 . . . . 0.0 111.901 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -54.67 -69.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 121.361 1.374 . . . . 0.0 112.544 -174.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.2 p -57.54 -18.02 17.02 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -174.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 m -81.6 -50.25 9.56 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.651 0.738 . . . . 0.0 109.273 -172.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.9 mm -60.97 -40.97 87.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.304 173.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.0 -37.36 84.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.806 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 tt -64.31 -45.85 86.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.129 0.49 . . . . 0.0 110.246 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.74 -42.98 94.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.858 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.74 -38.29 87.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.87 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.55 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.3 m -61.79 -51.82 66.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 -176.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.0 tp -61.19 -33.47 56.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.577 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -62.82 -52.85 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.643 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.37 -47.16 87.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.009 -175.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.2 mm -62.45 -44.01 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.787 -176.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -59.48 -41.56 90.07 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.033 -175.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.17 -49.09 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.878 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.27 -42.85 99.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.128 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.28 79.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.294 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 50.15 19.44 0.5 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 m -56.63 -38.79 72.59 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 122.225 -0.297 . . . . 0.0 110.81 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.58 81.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.93 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.2 -39.58 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.977 -177.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -63.09 -45.28 92.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.107 -178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.96 99.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.014 -178.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.25 79.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.0 -34.66 78.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.494 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -55.73 -37.96 69.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.46 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -124.24 148.61 47.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.014 0.435 . . . . 0.0 111.077 -177.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.46 -107.87 0.76 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -105.8 145.77 30.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 110.311 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -66.65 150.02 97.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.6 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -91.36 35.53 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.801 1.667 . . . . 0.0 112.182 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.76 179.21 53.47 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.8 m -124.01 140.44 52.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.427 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.5 m80 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.596 179.855 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m 60.99 -84.12 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.126 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.43 -41.41 80.39 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 117.998 0.363 . . . . 0.0 110.525 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.72 -40.08 96.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.725 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.78 -34.94 79.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.481 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.09 41.04 14.73 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -60.76 140.54 57.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.609 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.49 159.51 35.08 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.241 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -55.39 97.21 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.324 1.349 . . . . 0.0 112.164 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 56.04 85.17 0.2 Allowed Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -58.24 151.07 62.28 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.337 1.358 . . . . 0.0 111.81 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -53.49 -62.69 0.3 Allowed 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.32 1.347 . . . . 0.0 111.995 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.3 m -52.97 -28.23 22.8 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -77.05 -55.52 5.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.704 . . . . 0.0 109.654 -169.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.9 tt -61.2 -35.6 66.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.988 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.21 -36.12 83.02 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.699 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -47.14 78.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.003 0.43 . . . . 0.0 110.017 -176.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.39 -42.4 98.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.076 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.1 -40.54 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.416 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.96 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.96 0.41 . . . . 0.0 110.781 -177.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.6 m -61.78 -48.53 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.3 pt -64.11 -36.56 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.46 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -62.95 -50.48 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.192 0.52 . . . . 0.0 110.482 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.3 tp -61.9 -46.79 87.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.964 -174.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.6 tt -65.75 -40.58 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.562 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.37 -39.68 88.1 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.034 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.8 mt -66.34 -50.17 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.571 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.08 -31.86 70.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.04 -176.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.66 -31.21 1.82 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.4 -36.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.845 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.0 m -55.04 -39.7 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 111.214 -175.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.31 -47.5 79.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.866 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.32 -39.61 87.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.048 -176.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -65.06 -47.1 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.17 -177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.32 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.028 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.75 -31.54 72.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.769 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.99 84.4 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.794 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -66.44 -46.05 77.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.768 0.318 . . . . 0.0 110.878 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -127.31 125.16 40.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.609 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -159.24 128.66 2.06 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -118.89 153.19 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.426 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -125.33 80.15 65.59 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.43 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -83.23 -51.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 121.564 1.509 . . . . 0.0 112.052 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.66 -175.66 50.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.9 m -120.43 138.1 53.96 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 67.2 m80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.676 -179.215 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -56.82 -31.61 64.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.613 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.2 tp -56.96 -39.82 75.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.723 0.297 . . . . 0.0 110.728 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -40.78 92.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.298 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.15 -36.77 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.111 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.27 -37.73 3.33 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.86 142.97 55.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.738 0.304 . . . . 0.0 110.662 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 pt -94.04 153.75 40.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.499 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -83.93 77.24 3.37 Favored 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.45 1.434 . . . . 0.0 112.217 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.06 -55.01 0.08 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -53.86 -47.84 24.97 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.19 1.26 . . . . 0.0 113.781 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.19 -64.46 0.25 Allowed 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.414 1.409 . . . . 0.0 113.112 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -61.72 -19.52 62.5 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -175.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.0 t -81.43 -48.94 11.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.674 0.749 . . . . 0.0 109.318 -172.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.39 -39.68 83.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.335 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.61 -39.67 89.02 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.364 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -64.32 -46.48 83.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.309 0.576 . . . . 0.0 110.498 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -59.88 -42.84 94.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.849 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.17 -39.85 79.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.394 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.62 96.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.28 -50.09 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 0.0 110.489 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mm -59.7 -42.02 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.91 -45.39 90.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.143 0.497 . . . . 0.0 110.207 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.16 -42.13 85.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.359 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.27 -43.85 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.927 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -58.56 -39.21 79.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.978 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.8 mt -63.12 -48.56 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.477 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.43 -42.22 95.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.906 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.29 96.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.783 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 78.74 -22.43 0.29 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.662 0.785 . . . . 0.0 112.883 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.3 p -58.79 -37.69 76.88 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 118.149 0.431 . . . . 0.0 110.822 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.18 86.29 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.611 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.82 -39.31 88.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.024 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -62.78 -45.87 90.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.83 0.348 . . . . 0.0 111.018 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.87 95.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.23 -29.54 70.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.02 178.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.67 -32.74 59.77 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -55.11 -38.41 68.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.666 0.269 . . . . 0.0 111.118 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -113.65 138.17 50.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 110.469 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.99 110.26 2.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -108.38 136.73 47.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.372 . . . . 0.0 110.468 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -63.57 153.79 81.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.95 -50.89 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.25 1.3 . . . . 0.0 112.047 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.25 -175.38 43.56 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.7 m -80.13 137.52 36.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.464 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.535 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -58.23 -26.82 63.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.206 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.7 tt -56.12 -42.48 76.91 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.659 0.266 . . . . 0.0 110.751 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.19 -41.86 93.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.344 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.19 -36.15 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.17 29.59 40.66 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.21 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -127.09 156.66 41.37 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 117.073 0.437 . . . . 0.0 110.531 178.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 tp -101.47 140.17 21.02 Favored Pre-proline 0 CA--C 1.534 0.337 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -89.48 77.12 1.12 Allowed 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.552 1.501 . . . . 0.0 112.478 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -80.96 -53.45 0.79 Allowed Pre-proline 0 CA--C 1.535 0.37 0 CA-C-O 118.754 -0.641 . . . . 0.0 112.212 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -48.83 -51.16 10.97 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 120.939 1.093 . . . . 0.0 112.851 -176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -49.27 -63.0 0.34 Allowed 'Trans proline' 0 N--CA 1.497 1.682 0 C-N-CA 121.207 1.271 . . . . 0.0 112.228 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -53.89 -26.66 26.09 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -81.57 -48.1 12.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.608 0.718 . . . . 0.0 109.605 -169.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.75 -39.13 82.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.266 173.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.53 -37.66 88.17 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.491 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.57 -45.8 88.8 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.223 0.535 . . . . 0.0 110.26 -177.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -59.67 -43.4 94.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.782 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 tp -57.99 -39.23 77.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.406 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.7 93.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.464 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.8 m -58.5 -47.08 85.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.133 0.492 . . . . 0.0 110.269 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.68 -41.24 81.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.31 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.15 -45.98 89.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.833 0.349 . . . . 0.0 110.683 -177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mp -59.96 -44.59 94.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.4 mm -61.81 -47.05 95.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.548 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -61.94 -44.48 96.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.599 -174.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 tt -69.82 -36.43 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.996 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.57 -42.01 98.36 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.664 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.6 80.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.35 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.42 34.73 0.81 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.862 0.363 . . . . 0.0 111.462 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t -55.73 -38.87 70.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.747 0.308 . . . . 0.0 111.006 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.06 -48.12 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.313 . . . . 0.0 110.835 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.84 -38.78 86.64 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.067 -177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -62.99 -44.7 95.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.069 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.43 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.728 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.34 80.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.94 -36.58 79.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.613 0.244 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -55.18 -37.05 66.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.151 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -104.76 146.21 29.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.99 -177.62 45.76 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -106.99 146.32 31.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.611 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -136.43 160.51 66.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.313 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.2 -40.5 49.9 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.168 1.245 . . . . 0.0 111.761 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.39 -122.58 25.5 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -119.4 140.73 49.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.782 0.325 . . . . 0.0 110.357 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 63.5 m170 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.599 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo . . . . . 0 N--CA 1.495 1.587 0 CA-C-O 120.93 0.304 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.7 p -62.84 -15.03 52.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.4 p -81.53 -49.14 10.92 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.612 0.72 . . . . 0.0 109.082 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.34 -41.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.214 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' C ' HD23 ' A' ' 16' ' ' LEU . 9.3 tt -59.36 -39.84 84.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.963 0.411 . . . . 0.0 110.396 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.7 -43.57 96.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.148 0.499 . . . . 0.0 110.359 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -59.29 -42.7 91.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.811 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.57 -39.14 86.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.91 90.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.784 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.5 m -61.85 -47.5 84.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.739 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.6 pt -63.83 -37.94 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.333 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -62.74 -50.24 71.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.526 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.48 -44.44 94.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.74 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 26' ' ' LYS . 8.9 tp -67.29 -45.11 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.429 -0.509 . . . . 0.0 111.616 -175.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.405 ' N ' HG23 ' A' ' 25' ' ' ILE . 28.8 mmtp -64.34 -43.01 95.95 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.818 -177.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -69.46 -37.93 76.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.564 -0.455 . . . . 0.0 111.864 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.771 0.32 . . . . 0.0 110.829 -179.573 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo . . . . . 0 N--CA 1.497 1.678 0 CA-C-O 120.973 0.322 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 t -58.86 -16.85 19.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.4 t -80.83 -53.71 6.24 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.531 0.681 . . . . 0.0 109.541 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 tt -63.15 -36.16 74.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.03 174.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.9 tp -63.01 -39.05 93.61 Favored 'General case' 0 C--N 1.334 -0.086 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.389 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.7 tt -64.11 -44.66 91.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.145 0.498 . . . . 0.0 110.237 -176.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.78 -42.5 93.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.927 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.1 tp -58.23 -40.14 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.389 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.67 93.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.675 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.0 m -59.36 -46.93 87.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.107 0.48 . . . . 0.0 110.348 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.49 -43.08 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.113 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.95 -45.37 90.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.437 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.5 mt -57.76 -43.36 85.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.7 mm -62.35 -45.05 99.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.641 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -58.32 -40.24 81.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.975 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.13 -49.32 68.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.713 -176.356 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo . . . . . 0 N--CA 1.496 1.619 0 CA-C-O 120.524 0.135 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.5 p -56.67 -19.24 15.43 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 t -81.41 -53.12 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.4 0.619 . . . . 0.0 109.432 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.3 pt -61.97 -32.86 55.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.184 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.81 -37.14 86.61 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.565 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.43 -46.55 88.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.097 0.475 . . . . 0.0 110.011 -177.791 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 18' ' ' LEU . 6.8 mp -60.81 -42.44 97.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.052 178.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -58.79 -39.5 81.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.57 81.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 110.809 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.5 m -61.71 -51.39 68.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.037 0.446 . . . . 0.0 110.557 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.7 tt -61.86 -35.7 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.315 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 27' ' ' ILE . 49.4 t80 -62.34 -48.17 81.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.005 0.431 . . . . 0.0 110.394 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.68 -42.07 87.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.4 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.34 -43.54 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.965 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.62 -39.21 79.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.411 HD11 ' CE1' ' A' ' 23' ' ' PHE . 73.9 mt -61.77 -48.67 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.972 0.415 . . . . 0.0 110.29 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.883 -176.293 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 N--CA 1.495 1.601 0 CA-C-O 120.72 0.217 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.8 p -61.35 -15.65 38.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 m -81.34 -51.86 7.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.367 0.603 . . . . 0.0 109.401 -172.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.6 tt -64.31 -35.9 75.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.091 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.48 -40.0 92.96 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.277 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.26 -45.21 85.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.175 0.512 . . . . 0.0 110.478 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.82 -42.38 97.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.003 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 19' ' ' LEU . 9.6 tt -59.05 -40.57 85.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.17 71.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.982 0.42 . . . . 0.0 110.697 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.2 m -61.72 -51.15 69.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.636 -174.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.82 -37.64 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.178 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.69 -52.17 66.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.258 0.551 . . . . 0.0 110.404 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.39 -43.39 97.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.582 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.3 pt -67.59 -42.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.522 -0.471 . . . . 0.0 112.065 -173.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -63.75 -39.77 95.09 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.511 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.8 mt -66.9 -45.8 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.039 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 tp . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.778 -176.144 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 N--CA 1.495 1.614 0 CA-C-O 120.937 0.307 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 t -57.56 -17.9 16.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.0 m -81.39 -51.47 8.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.499 0.666 . . . . 0.0 109.554 -171.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.7 tt -65.04 -34.12 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.23 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.74 -39.43 94.27 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.124 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.6 tt -64.33 -45.27 88.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.276 0.56 . . . . 0.0 110.142 -177.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.29 -42.54 95.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.896 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.9 -40.07 79.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.371 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.33 89.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.004 0.43 . . . . 0.0 110.635 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.7 m -60.95 -47.91 84.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.9 -43.12 87.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.166 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.34 -46.27 89.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.977 0.418 . . . . 0.0 110.497 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -59.56 -43.11 93.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.218 -177.19 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.59 -46.97 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.474 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.18 -43.66 98.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.501 -173.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -70.07 -35.63 64.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.662 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 tp . . . . . 0 C--N 1.332 -0.19 0 CA-C-O 120.827 0.346 . . . . 0.0 110.691 177.189 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo . . . . . 0 N--CA 1.496 1.627 0 CA-C-O 120.691 0.204 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 p -63.54 -22.33 66.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 m -78.53 -50.26 11.89 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.7 mm -59.5 -39.02 78.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.514 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.83 -38.17 78.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.388 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -61.85 -45.58 93.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 110.374 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 18' ' ' LEU . 7.0 mp -59.69 -43.06 94.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.942 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.36 -38.84 85.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.603 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.36 88.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.75 -176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.4 m -60.27 -47.84 84.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 0.0 110.499 -177.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -59.76 -44.43 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.433 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.699 ' CE2' HD11 ' A' ' 27' ' ' ILE . 75.2 t80 -60.85 -49.51 77.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 110.825 -176.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.51 -44.8 96.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.086 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.2 pt -66.98 -37.92 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.703 -175.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -61.13 -40.05 92.35 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.831 -0.347 . . . . 0.0 110.989 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.699 HD11 ' CE2' ' A' ' 23' ' ' PHE . 76.9 mt -65.28 -47.79 85.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.748 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.607 -177.094 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.495 1.61 0 CA-C-O 120.718 0.216 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.7 p -58.73 -17.38 22.51 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.3 t -80.55 -52.31 7.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.58 0.705 . . . . 0.0 109.423 -172.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.6 tt -64.81 -35.05 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.162 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.87 -37.76 88.57 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.726 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.74 -45.13 79.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.971 0.415 . . . . 0.0 110.678 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.68 -42.96 94.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.914 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.22 -40.2 89.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.13 85.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.949 0.404 . . . . 0.0 110.694 -176.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.71 -51.64 66.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.713 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.8 tt -62.52 -35.57 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.565 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -65.71 -52.31 52.37 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.631 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.4 -47.08 86.8 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.311 -175.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 tt -64.83 -36.65 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.455 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -61.1 -43.49 98.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.7 mm -66.32 -47.35 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.37 . . . . 0.0 110.979 -177.392 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo . . . . . 0 N--CA 1.496 1.629 0 N-CA-C 112.684 0.225 . . . . 0.0 112.684 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 p -60.91 -20.09 61.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -81.61 -51.46 8.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.527 0.68 . . . . 0.0 109.418 -171.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.2 tp -63.76 -35.12 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.14 174.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.87 -40.14 94.33 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.946 0.403 . . . . 0.0 110.206 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.64 -45.2 87.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.249 0.547 . . . . 0.0 110.38 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.3 -42.89 96.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.992 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -58.74 -40.41 83.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.05 179.278 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.0 -47.72 83.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.598 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.3 m -59.3 -47.39 85.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.045 0.45 . . . . 0.0 110.402 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.9 -43.32 88.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.226 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -60.8 -48.67 80.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.844 0.354 . . . . 0.0 110.801 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.96 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.7 -48.5 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.455 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -60.7 -39.33 88.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.614 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.8 pt -76.13 -32.34 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.969 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 C--N 1.332 -0.173 0 CA-C-O 120.895 0.379 . . . . 0.0 110.22 178.888 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo . . . . . 0 N--CA 1.497 1.683 0 CA-C-O 120.837 0.266 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 t -60.87 -24.26 65.79 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.6 m -81.32 -51.21 8.61 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.397 0.618 . . . . 0.0 109.412 -171.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 tt -62.27 -36.75 76.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.933 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' C ' HD23 ' A' ' 16' ' ' LEU . 9.2 tt -62.51 -39.57 93.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.259 177.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.72 -44.92 94.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.351 -176.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.57 -42.57 92.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.963 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.86 -40.41 84.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.347 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.53 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.1 m -60.33 -47.86 84.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.401 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.9 mt -58.43 -45.72 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.22 0.533 . . . . 0.0 110.071 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.07 -47.74 84.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.207 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.34 -42.19 81.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.579 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.6 mt -62.01 -44.63 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -58.84 -43.16 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.904 -173.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.8 mp -76.58 -33.33 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.959 178.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.1 tp . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 110.82 -176.602 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo . . . . . 0 N--CA 1.495 1.592 0 CA-C-O 120.732 0.222 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 t -57.53 -23.24 49.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m -79.05 -54.24 6.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.388 0.613 . . . . 0.0 109.53 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 tt -61.77 -36.27 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.861 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' C ' HD23 ' A' ' 16' ' ' LEU . 9.5 tt -60.58 -39.18 87.12 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.86 0.362 . . . . 0.0 110.273 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -64.67 -46.89 80.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 0.0 110.195 -175.138 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 18' ' ' LEU . 4.5 mm? -60.26 -43.47 96.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.774 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.69 -38.65 82.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.7 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.21 94.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.926 0.393 . . . . 0.0 110.682 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.3 m -60.75 -47.59 85.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.6 -44.44 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.145 -177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.34 -45.88 91.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.789 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 tp -59.12 -44.0 91.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.628 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.37 -49.06 85.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.09 -44.31 97.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.449 -173.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 tt -70.98 -39.61 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -175.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--N 1.33 -0.256 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.551 -179.091 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo . . . . . 0 N--CA 1.496 1.624 0 CA-C-O 120.64 0.183 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.6 p -62.33 -25.62 67.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.9 p -78.88 -47.09 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.482 0.658 . . . . 0.0 109.458 -172.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.7 pt -65.26 -33.52 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.985 172.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.72 -38.96 83.11 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.834 0.349 . . . . 0.0 110.211 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.5 tp -68.42 -48.91 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.93 0.395 . . . . 0.0 110.758 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.3 -44.97 94.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 0.0 109.924 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.91 -38.23 90.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.606 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.72 85.01 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.222 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.4 p -64.26 -41.55 96.88 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.14 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.85 -47.24 92.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.975 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -61.62 -46.89 87.9 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.847 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.38 -46.28 89.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.689 -173.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.6 pt -68.13 -36.77 76.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.507 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.76 -41.71 95.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.823 0.344 . . . . 0.0 110.793 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.73 -50.98 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.754 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.926 -174.78 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo . . . . . 0 N--CA 1.495 1.575 0 CA-C-O 120.731 0.221 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.45 ' HA ' HD12 ' A' ' 16' ' ' LEU . 66.9 p -58.9 -16.73 18.96 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.7 m -81.45 -48.91 11.26 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -174.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.5 mt -58.53 -39.87 76.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.461 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 13' ' ' THR . 90.4 mt -62.85 -36.28 82.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.79 177.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.05 -45.87 91.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.027 0.442 . . . . 0.0 110.381 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.14 -42.64 95.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.891 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.519 HD11 ' HE1' ' A' ' 23' ' ' PHE . 23.4 tp -58.14 -41.67 84.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.167 0.508 . . . . 0.0 110.218 178.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.56 99.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.817 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.1 m -60.15 -44.99 94.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.794 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.13 -52.48 60.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.253 0.549 . . . . 0.0 110.003 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.519 ' HE1' HD11 ' A' ' 19' ' ' LEU . 39.7 m-85 -62.08 -41.47 98.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 -178.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.6 tp -61.21 -44.4 97.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.098 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.8 pt -68.03 -40.82 83.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.658 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.15 -41.18 92.22 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.785 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -71.47 -40.79 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.336 -175.412 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo . . . . . 0 N--CA 1.496 1.66 0 CA-C-O 120.714 0.214 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.0 p -62.29 -24.48 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.0 m -81.42 -49.36 10.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.534 0.683 . . . . 0.0 109.435 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -63.48 -35.23 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.1 174.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.3 tp -62.07 -39.57 92.87 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 120.809 0.338 . . . . 0.0 110.286 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.61 -44.82 92.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.314 0.578 . . . . 0.0 110.246 -177.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.482 ' C ' HD23 ' A' ' 18' ' ' LEU . 9.1 tt -59.5 -42.59 92.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.899 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.3 tp -58.12 -40.3 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.08 99.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.496 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.6 m -59.45 -43.61 93.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.467 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.1 -47.83 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.889 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -59.27 -44.83 92.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.5 tp -59.46 -45.14 92.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.803 -174.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.1 pt -67.95 -42.45 85.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.861 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -61.45 -40.12 93.34 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.186 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.8 mt -66.21 -46.57 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.925 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.461 -177.245 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo . . . . . 0 N--CA 1.498 1.77 0 N-CA-C 113.145 0.402 . . . . 0.0 113.145 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.523 ' HA ' HD12 ' A' ' 16' ' ' LEU . 7.1 t -59.16 -17.92 31.52 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.1 t -77.96 -54.38 6.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.533 0.682 . . . . 0.0 109.44 -173.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 tp -61.34 -32.71 53.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.231 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 13' ' ' THR . 90.2 mt -62.74 -37.47 86.68 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.43 174.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.62 -46.01 90.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.208 0.527 . . . . 0.0 110.253 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 18' ' ' LEU . 6.9 mp -60.24 -41.92 94.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.04 177.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.84 -40.01 79.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.386 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.73 96.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.746 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.5 m -60.49 -47.19 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 110.525 -177.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.12 -44.01 90.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.114 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.74 -45.61 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.636 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 24' ' ' LEU . 9.2 tt -58.77 -43.6 90.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.5 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.76 -47.69 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.27 -41.05 87.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -175.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 pt -76.18 -31.5 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.639 0.257 . . . . 0.0 110.442 179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 N--CA 1.496 1.67 0 CA-C-O 120.739 0.225 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.6 p -59.41 -16.4 22.99 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.5 m -80.35 -47.74 14.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 -173.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.8 pt -67.83 -30.97 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.34 173.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.68 -41.21 98.98 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.997 0.427 . . . . 0.0 110.024 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.23 -44.6 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.122 0.487 . . . . 0.0 110.328 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.4 tp -61.37 -42.11 98.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.11 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.7 tp -58.97 -40.06 83.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.497 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -53.77 40.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.959 0.409 . . . . 0.0 110.759 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 p -64.05 -49.13 73.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 -173.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.545 HD12 ' N ' ' A' ' 23' ' ' PHE . 2.6 pp -62.18 -41.55 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.73 -174.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.545 ' N ' HD12 ' A' ' 22' ' ' ILE . 60.0 t80 -59.24 -48.54 81.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.036 0.445 . . . . 0.0 110.2 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.5 mt -58.08 -43.51 87.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.63 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.23 -47.67 92.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.72 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -59.85 -40.89 90.07 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.54 -174.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -67.93 -47.47 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.364 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--N 1.329 -0.313 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.658 -175.328 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.498 1.764 0 CA-C-O 120.726 0.219 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.1 p -64.29 -11.59 33.32 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -81.44 -49.36 10.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.616 0.722 . . . . 0.0 109.188 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.3 mt -62.45 -40.71 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.153 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.67 -40.65 88.5 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.331 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.482 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.6 tt -67.19 -44.8 78.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.246 0.546 . . . . 0.0 110.534 -175.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -60.65 -42.41 96.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.888 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 19' ' ' LEU . 9.1 tt -58.81 -41.63 87.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.161 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.76 91.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.5 m -62.4 -47.91 82.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.34 -44.49 96.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.48 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.48 -49.84 75.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.074 0.464 . . . . 0.0 110.631 -176.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.8 -48.07 83.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 -173.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 tt -65.37 -35.7 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.382 -176.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.49 -43.73 96.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.825 0.345 . . . . 0.0 110.814 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 mm -66.88 -46.71 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.239 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.699 0.285 . . . . 0.0 111.186 -176.169 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo . . . . . 0 N--CA 1.496 1.664 0 CA-C-O 120.719 0.216 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.2 p -57.54 -18.02 17.02 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -174.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 m -81.6 -50.25 9.56 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.651 0.738 . . . . 0.0 109.273 -172.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.9 mm -60.97 -40.97 87.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.304 173.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.0 -37.36 84.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.806 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.7 tt -64.31 -45.85 86.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.129 0.49 . . . . 0.0 110.246 -176.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.74 -42.98 94.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.858 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.74 -38.29 87.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.87 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.55 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.3 m -61.79 -51.82 66.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 -176.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.0 tp -61.19 -33.47 56.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.577 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -62.82 -52.85 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.643 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.37 -47.16 87.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.009 -175.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.2 mm -62.45 -44.01 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.787 -176.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -59.48 -41.56 90.07 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.033 -175.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.17 -49.09 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.878 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.128 -175.52 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo . . . . . 0 N--CA 1.495 1.576 0 CA-C-O 120.914 0.297 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.3 m -52.97 -28.23 22.8 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -77.05 -55.52 5.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.704 . . . . 0.0 109.654 -169.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.9 tt -61.2 -35.6 66.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.988 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.21 -36.12 83.02 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.699 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.11 -47.14 78.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.003 0.43 . . . . 0.0 110.017 -176.525 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 18' ' ' LEU . 6.6 mp -61.39 -42.4 98.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.076 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' C ' HD23 ' A' ' 19' ' ' LEU . 9.1 tt -59.1 -40.54 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.416 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.96 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.96 0.41 . . . . 0.0 110.781 -177.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.6 m -61.78 -48.53 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.3 pt -64.11 -36.56 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.46 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.601 ' CE2' HD11 ' A' ' 27' ' ' ILE . 76.5 t80 -62.95 -50.48 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.192 0.52 . . . . 0.0 110.482 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.3 tp -61.9 -46.79 87.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.964 -174.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.6 tt -65.75 -40.58 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.562 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.37 -39.68 88.1 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.034 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.601 HD11 ' CE2' ' A' ' 23' ' ' PHE . 74.8 mt -66.34 -50.17 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.571 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.04 -176.377 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo . . . . . 0 N--CA 1.497 1.696 0 N-CA-C 113.112 0.389 . . . . 0.0 113.112 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -61.72 -19.52 62.5 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.0 t -81.43 -48.94 11.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.674 0.749 . . . . 0.0 109.318 -172.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.39 -39.68 83.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.335 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.61 -39.67 89.02 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.364 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -64.32 -46.48 83.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.309 0.576 . . . . 0.0 110.498 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -59.88 -42.84 94.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.849 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.17 -39.85 79.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.394 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.62 96.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.28 -50.09 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 0.0 110.489 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mm -59.7 -42.02 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.91 -45.39 90.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.143 0.497 . . . . 0.0 110.207 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.16 -42.13 85.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.359 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.27 -43.85 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.927 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -58.56 -39.21 79.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.978 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.8 mt -63.12 -48.56 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.477 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.906 -176.038 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 N--CA 1.497 1.682 0 CA-C-O 120.93 0.304 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -53.89 -26.66 26.09 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -81.57 -48.1 12.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.608 0.718 . . . . 0.0 109.605 -169.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.75 -39.13 82.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.266 173.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.53 -37.66 88.17 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.491 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.481 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.5 tt -63.57 -45.8 88.8 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.223 0.535 . . . . 0.0 110.26 -177.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -59.67 -43.4 94.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.782 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 tp -57.99 -39.23 77.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.406 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.7 93.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.464 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.8 m -58.5 -47.08 85.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.133 0.492 . . . . 0.0 110.269 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.68 -41.24 81.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.31 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.15 -45.98 89.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.833 0.349 . . . . 0.0 110.683 -177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mp -59.96 -44.59 94.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.4 mm -61.81 -47.05 95.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.548 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -61.94 -44.48 96.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.599 -174.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 tt -69.82 -36.43 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.996 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 C--N 1.332 -0.162 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.664 178.17 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -59.34 150.73 25.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.798 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.79 -35.0 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.333 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.443 ' C ' HD23 ' A' ' 4' ' ' LEU . 9.4 tt -56.26 -39.39 72.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.742 0.306 . . . . 0.0 110.716 -177.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.01 -37.79 80.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.2 29.79 61.84 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.18 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -134.36 131.05 37.81 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.047 0.424 . . . . 0.0 110.604 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 pt -113.27 156.12 43.55 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.369 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.16 96.89 0.08 OUTLIER 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 121.29 1.326 . . . . 0.0 112.199 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 56.38 82.58 0.24 Allowed Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.509 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.68 148.61 81.6 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.288 1.325 . . . . 0.0 112.061 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -56.09 -58.01 1.24 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 121.249 1.3 . . . . 0.0 111.822 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.7 p -62.84 -15.03 52.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.4 p -81.53 -49.14 10.92 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.612 0.72 . . . . 0.0 109.082 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.34 -41.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.214 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' C ' HD23 ' A' ' 16' ' ' LEU . 9.3 tt -59.36 -39.84 84.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.963 0.411 . . . . 0.0 110.396 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.7 -43.57 96.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.148 0.499 . . . . 0.0 110.359 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -59.29 -42.7 91.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.811 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.57 -39.14 86.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.91 90.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.784 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.5 m -61.85 -47.5 84.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.739 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.6 pt -63.83 -37.94 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.333 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -62.74 -50.24 71.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.526 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.48 -44.44 94.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.74 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 26' ' ' LYS . 8.9 tp -67.29 -45.11 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.429 -0.509 . . . . 0.0 111.616 -175.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' N ' HG23 ' A' ' 25' ' ' ILE . 28.8 mmtp -64.34 -43.01 95.95 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.818 -177.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -69.46 -37.93 76.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.564 -0.455 . . . . 0.0 111.864 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.27 -44.32 92.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.771 0.32 . . . . 0.0 110.829 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.42 87.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.261 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 52.07 23.19 2.13 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -56.7 -39.25 73.5 Favored 'General case' 0 C--N 1.333 -0.118 0 O-C-N 122.187 -0.321 . . . . 0.0 110.686 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.46 96.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.729 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.93 -40.62 89.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.811 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -65.01 -44.21 89.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.328 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.09 91.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.152 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.21 -33.29 72.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.421 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.1 -36.23 70.36 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.091 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -55.18 -37.09 66.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.629 0.252 . . . . 0.0 111.185 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -104.48 140.14 38.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.828 0.347 . . . . 0.0 110.425 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.56 68.99 0.02 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 58.91 43.89 17.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.297 0.57 . . . . 0.0 110.522 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -65.29 153.16 90.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.559 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -81.25 -52.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.439 1.426 . . . . 0.0 112.207 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.99 -175.39 46.64 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 m -122.8 139.93 53.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.797 0.332 . . . . 0.0 110.36 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.0 m170 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.54 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -58.59 -28.12 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.8 tp -56.74 -38.32 72.24 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.85 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.9 tp -58.91 -40.16 83.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 110.651 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.57 -38.93 92.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.944 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.16 67.76 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 121.275 -0.488 . . . . 0.0 111.937 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -117.09 137.69 52.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.139 0.469 . . . . 0.0 110.651 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -112.89 137.79 21.96 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.14 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.511 ' N ' HD13 ' A' ' 8' ' ' ILE . 65.1 Cg_exo -48.9 99.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.217 1.278 . . . . 0.0 112.206 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 56.86 84.98 0.2 Allowed Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.533 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.29 142.43 96.07 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.206 1.271 . . . . 0.0 111.736 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.73 -61.38 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.268 1.312 . . . . 0.0 111.631 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 t -58.86 -16.85 19.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.4 t -80.83 -53.71 6.24 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.531 0.681 . . . . 0.0 109.541 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 tt -63.15 -36.16 74.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.03 174.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.9 tp -63.01 -39.05 93.61 Favored 'General case' 0 C--N 1.334 -0.086 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.389 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.7 tt -64.11 -44.66 91.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.145 0.498 . . . . 0.0 110.237 -176.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.78 -42.5 93.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.927 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.1 tp -58.23 -40.14 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.389 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.67 93.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.675 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.0 m -59.36 -46.93 87.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.107 0.48 . . . . 0.0 110.348 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.49 -43.08 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.113 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.95 -45.37 90.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.437 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.5 mt -57.76 -43.36 85.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.7 mm -62.35 -45.05 99.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.641 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -58.32 -40.24 81.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.975 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.13 -49.32 68.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 tp -59.22 -33.72 71.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.713 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.33 -28.23 0.8 Allowed 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -169.6 -39.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.36 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -54.41 -41.46 69.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 111.416 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.9 75.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.168 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.02 -39.1 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.294 -175.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -67.02 -46.28 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.626 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.92 85.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.443 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.18 83.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.662 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.17 -58.06 3.73 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.262 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -60.51 -40.59 91.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.183 -177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -113.64 135.52 53.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.844 0.354 . . . . 0.0 110.673 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.68 -2.44 86.82 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 121.129 -0.557 . . . . 0.0 113.416 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -111.49 146.63 36.93 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.08 0.94 . . . . 0.0 110.527 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -72.66 153.34 91.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.475 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -86.59 107.39 0.78 Allowed 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.664 1.576 . . . . 0.0 112.255 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.56 -160.03 37.29 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -132.98 157.02 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.349 . . . . 0.0 110.701 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.3 m80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.624 -179.664 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -58.13 -29.44 65.53 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.73 -37.92 83.38 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.647 0.261 . . . . 0.0 111.021 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.446 ' C ' HD23 ' A' ' 4' ' ' LEU . 9.3 tt -59.38 -39.39 83.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.73 0.3 . . . . 0.0 110.639 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -60.05 -33.43 72.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.498 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.93 40.83 9.09 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.55 143.21 48.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.617 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 pt -99.73 156.44 35.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.225 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.76 92.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.261 1.307 . . . . 0.0 111.66 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -61.21 164.79 7.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.807 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -87.42 108.75 0.68 Allowed 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.829 1.686 . . . . 0.0 111.537 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.08 -60.25 0.69 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.308 1.339 . . . . 0.0 112.296 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.5 p -56.67 -19.24 15.43 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 t -81.41 -53.12 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.4 0.619 . . . . 0.0 109.432 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.3 pt -61.97 -32.86 55.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.184 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.81 -37.14 86.61 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.565 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.43 -46.55 88.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.097 0.475 . . . . 0.0 110.011 -177.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 18' ' ' LEU . 6.8 mp -60.81 -42.44 97.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.052 178.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -58.79 -39.5 81.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.57 81.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 110.809 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.5 m -61.71 -51.39 68.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.037 0.446 . . . . 0.0 110.557 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.7 tt -61.86 -35.7 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.315 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 27' ' ' ILE . 49.4 t80 -62.34 -48.17 81.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.005 0.431 . . . . 0.0 110.394 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.68 -42.07 87.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.4 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.34 -43.54 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.965 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.62 -39.21 79.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.411 HD11 ' CE1' ' A' ' 23' ' ' PHE . 73.9 mt -61.77 -48.67 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.972 0.415 . . . . 0.0 110.29 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.23 -42.27 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.883 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.56 87.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.279 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.94 11.47 1.44 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -56.63 -39.14 73.13 Favored 'General case' 0 C--O 1.23 0.066 0 O-C-N 122.048 -0.408 . . . . 0.0 110.687 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.24 94.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.893 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.36 -40.54 91.12 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.76 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -65.77 -45.36 82.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.452 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.31 93.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.38 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.15 75.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.38 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.8 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.298 . . . . 0.0 110.971 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 -66.8 -50.4 62.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.085 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -127.4 148.82 50.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.653 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.99 179.92 53.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -101.83 123.79 46.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.603 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -75.05 152.36 86.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.523 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -88.17 130.06 2.45 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.724 1.616 . . . . 0.0 112.497 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.19 170.7 45.17 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.9 m -127.39 142.4 51.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.489 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.7 m80 . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.474 179.589 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.1 ttp-105 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -59.26 150.24 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.43 -36.88 81.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.99 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.32 -37.2 77.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.062 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.21 -37.51 77.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.679 0.276 . . . . 0.0 110.979 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.06 34.94 40.2 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.709 -0.557 . . . . 0.0 111.709 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -103.25 132.71 49.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.805 0.336 . . . . 0.0 110.351 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.9 mm -113.22 144.65 31.61 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -90.11 81.46 0.56 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.581 1.521 . . . . 0.0 111.771 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -52.1 -55.91 26.72 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 119.049 -0.501 . . . . 0.0 111.407 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -41.46 95.86 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.182 1.921 . . . . 0.0 113.371 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -62.75 -69.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.283 1.322 . . . . 0.0 112.514 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.8 p -61.35 -15.65 38.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 m -81.34 -51.86 7.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.367 0.603 . . . . 0.0 109.401 -172.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.6 tt -64.31 -35.9 75.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.091 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.48 -40.0 92.96 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.277 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.26 -45.21 85.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.175 0.512 . . . . 0.0 110.478 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.82 -42.38 97.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.003 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 19' ' ' LEU . 9.6 tt -59.05 -40.57 85.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.17 71.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.982 0.42 . . . . 0.0 110.697 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.2 m -61.72 -51.15 69.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.636 -174.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.82 -37.64 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.178 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.69 -52.17 66.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.258 0.551 . . . . 0.0 110.404 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.39 -43.39 97.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.582 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.3 pt -67.59 -42.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.522 -0.471 . . . . 0.0 112.065 -173.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -63.75 -39.77 95.09 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.511 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.8 mt -66.9 -45.8 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.039 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.96 -43.66 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.778 -176.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.8 85.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.35 3.62 1.45 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -58.51 -39.99 81.62 Favored 'General case' 0 C--O 1.231 0.116 0 O-C-N 121.894 -0.504 . . . . 0.0 110.734 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.79 87.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.88 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 33' ' ' LEU . 6.4 mp -61.36 -40.22 93.48 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.307 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -65.2 -46.47 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.317 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.91 98.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.385 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.16 81.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.226 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.88 -39.51 93.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.022 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.3 t-105 -59.24 -37.96 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.316 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -106.68 149.37 27.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.939 0.4 . . . . 0.0 110.991 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.76 39.31 14.16 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.15 -36.73 71.08 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.045 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -122.42 160.25 49.01 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.388 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -84.06 -34.23 0.28 Allowed 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.543 1.495 . . . . 0.0 112.085 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.6 33.87 41.46 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.5 p -126.6 162.63 25.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.721 0.296 . . . . 0.0 110.389 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.2 m80 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.531 179.832 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m 58.93 111.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.141 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.538 ' H ' HD12 ' A' ' 3' ' ' LEU . 6.3 mp -61.21 -35.79 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.285 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.09 -37.8 77.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.616 0.246 . . . . 0.0 111.05 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.15 -39.85 93.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.738 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.33 36.92 93.31 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -101.11 126.7 47.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.389 . . . . 0.0 110.837 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.9 pt -113.51 157.44 41.37 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.346 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.3 83.35 0.8 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.261 1.307 . . . . 0.0 111.836 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -66.89 155.37 90.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.45 159.99 12.23 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.334 1.356 . . . . 0.0 111.888 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -50.77 -69.32 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.455 1.436 . . . . 0.0 111.935 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 t -57.56 -17.9 16.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.0 m -81.39 -51.47 8.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.499 0.666 . . . . 0.0 109.554 -171.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.7 tt -65.04 -34.12 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.23 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.74 -39.43 94.27 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.124 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.6 tt -64.33 -45.27 88.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.276 0.56 . . . . 0.0 110.142 -177.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.29 -42.54 95.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.896 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.9 -40.07 79.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.371 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.33 89.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.004 0.43 . . . . 0.0 110.635 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.7 m -60.95 -47.91 84.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.9 -43.12 87.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.166 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.34 -46.27 89.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.977 0.418 . . . . 0.0 110.497 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -59.56 -43.11 93.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.218 -177.19 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.59 -46.97 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.474 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.18 -43.66 98.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.501 -173.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -70.07 -35.63 64.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.662 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 tp -62.52 -40.63 97.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.827 0.346 . . . . 0.0 110.691 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -26.2 65.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.228 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.0 -39.16 68.77 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -57.29 -40.8 78.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 110.412 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.76 98.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.539 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.0 tp -59.98 -40.37 88.93 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.794 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -62.76 -44.18 96.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.28 94.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.51 -29.77 70.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.821 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.84 -32.75 63.89 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -54.32 -35.93 63.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.614 0.245 . . . . 0.0 111.421 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -117.24 141.91 47.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.767 0.318 . . . . 0.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.15 65.09 3.93 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -58.57 -37.33 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.646 0.26 . . . . 0.0 111.075 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.85 68.69 2.01 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -49.7 146.9 14.59 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.333 1.355 . . . . 0.0 112.01 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.46 -165.75 41.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 m -78.68 137.51 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.515 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.0 t60 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.528 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m -57.04 -31.24 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.731 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.19 -40.01 80.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.708 0.29 . . . . 0.0 110.523 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -60.4 -38.64 84.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.477 179.167 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -58.55 -33.6 70.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.301 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 110.19 22.86 6.31 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 121.34 -0.457 . . . . 0.0 113.054 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -118.18 152.65 35.25 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 117.462 0.631 . . . . 0.0 110.4 175.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 tt -95.09 143.2 25.7 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-O 118.865 -0.588 . . . . 0.0 109.752 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -58.13 91.39 0.06 OUTLIER 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 121.215 1.276 . . . . 0.0 111.971 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -122.99 84.41 50.68 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.226 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -43.26 99.08 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.983 1.789 . . . . 0.0 113.339 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.8 -48.35 7.1 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.207 1.271 . . . . 0.0 111.902 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 p -63.54 -22.33 66.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 m -78.53 -50.26 11.89 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.7 mm -59.5 -39.02 78.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.514 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.83 -38.17 78.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.388 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -61.85 -45.58 93.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 110.374 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 18' ' ' LEU . 7.0 mp -59.69 -43.06 94.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.942 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.36 -38.84 85.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.603 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.36 88.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.75 -176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.4 m -60.27 -47.84 84.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 0.0 110.499 -177.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -59.76 -44.43 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.433 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.699 ' CE2' HD11 ' A' ' 27' ' ' ILE . 75.2 t80 -60.85 -49.51 77.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 110.825 -176.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.51 -44.8 96.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.086 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.2 pt -66.98 -37.92 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.703 -175.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -61.13 -40.05 92.35 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.831 -0.347 . . . . 0.0 110.989 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.699 HD11 ' CE2' ' A' ' 23' ' ' PHE . 76.9 mt -65.28 -47.79 85.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.748 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.71 -36.53 81.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.607 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.22 66.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.96 39.79 1.04 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.012 0.434 . . . . 0.0 111.187 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.4 p -57.45 -37.86 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.844 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.9 -46.95 85.43 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.796 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.45 -39.42 87.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.072 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -63.06 -46.67 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.071 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.13 84.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.427 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.48 -34.18 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.844 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.75 -58.05 8.06 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.204 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 99.8 m95 -65.59 -43.9 88.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.153 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -127.26 147.47 50.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.691 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.34 -175.68 50.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -96.27 115.04 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.479 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -132.46 84.13 52.31 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.352 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -80.36 178.63 6.89 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.526 1.484 . . . . 0.0 112.184 -178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.88 -22.84 38.49 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.533 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.1 p -122.18 161.08 23.84 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 117.572 0.686 . . . . 0.0 110.343 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.2 m80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.523 -179.619 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 p -59.33 149.07 29.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.595 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.14 -35.65 79.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.35 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.34 -39.04 78.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.642 0.258 . . . . 0.0 110.791 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -60.01 -41.51 92.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.446 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.43 -38.05 3.23 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -137.99 163.62 31.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 110.714 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.9 mt -76.22 142.77 72.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -80.91 76.84 4.31 Favored 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 121.077 1.185 . . . . 0.0 111.542 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.68 -53.15 0.12 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.821 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -48.34 149.43 6.52 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.263 1.309 . . . . 0.0 112.476 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.66 -63.28 0.14 Allowed 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.321 1.347 . . . . 0.0 112.033 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.7 p -58.73 -17.38 22.51 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.3 t -80.55 -52.31 7.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.58 0.705 . . . . 0.0 109.423 -172.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.6 tt -64.81 -35.05 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.162 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.87 -37.76 88.57 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.726 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.74 -45.13 79.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.971 0.415 . . . . 0.0 110.678 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.68 -42.96 94.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.914 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.22 -40.2 89.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.13 85.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.949 0.404 . . . . 0.0 110.694 -176.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.71 -51.64 66.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.713 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.8 tt -62.52 -35.57 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.565 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -65.71 -52.31 52.37 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.631 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.4 -47.08 86.8 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.311 -175.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 tt -64.83 -36.65 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.455 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -61.1 -43.49 98.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.7 mm -66.32 -47.35 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.87 -40.38 88.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.37 . . . . 0.0 110.979 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.81 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.72 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.94 -43.48 81.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.73 0.3 . . . . 0.0 110.724 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.3 p -58.91 -39.11 80.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.555 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.13 96.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.713 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.96 -39.5 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.028 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -63.84 -45.68 88.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.007 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.08 97.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.825 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.35 70.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.823 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.82 -37.64 68.95 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.062 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -56.7 -37.9 71.55 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.892 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -98.7 153.4 18.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.331 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.87 32.37 4.32 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.184 -0.532 . . . . 0.0 111.972 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -88.26 17.38 5.22 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -125.25 82.92 61.64 Favored Pre-proline 0 CA--C 1.532 0.268 0 O-C-N 122.187 -0.32 . . . . 0.0 110.441 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.38 -167.96 0.57 Allowed 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.485 1.456 . . . . 0.0 112.049 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.81 -56.04 0.32 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -135.36 157.68 46.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.372 . . . . 0.0 110.665 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.9 t60 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.612 179.79 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.0 ttt85 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -57.06 144.36 34.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.061 0.458 . . . . 0.0 111.103 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.8 mt -68.11 -33.62 74.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.545 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.8 tp -56.68 -37.8 71.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.748 0.309 . . . . 0.0 110.997 -176.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.65 -37.45 81.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.914 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.05 32.49 60.54 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.223 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -114.37 139.36 49.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.974 0.387 . . . . 0.0 110.357 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.563 HD13 ' N ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -105.77 128.14 27.06 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-O 118.488 -0.768 . . . . 0.0 109.133 -179.798 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.563 ' N ' HD13 ' A' ' 8' ' ' ILE . 48.6 Cg_endo -69.26 89.56 0.47 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 CA-C-N 120.563 1.237 . . . . 0.0 111.727 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -51.04 -49.07 83.16 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.646 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -93.67 92.11 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.74 1.627 . . . . 0.0 111.908 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -55.97 -64.79 0.12 Allowed 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 121.385 1.39 . . . . 0.0 112.684 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 p -60.91 -20.09 61.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -81.61 -51.46 8.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.527 0.68 . . . . 0.0 109.418 -171.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.2 tp -63.76 -35.12 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.14 174.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.87 -40.14 94.33 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.946 0.403 . . . . 0.0 110.206 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.64 -45.2 87.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.249 0.547 . . . . 0.0 110.38 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.3 -42.89 96.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.992 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -58.74 -40.41 83.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.05 179.278 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.0 -47.72 83.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.598 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.3 m -59.3 -47.39 85.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.045 0.45 . . . . 0.0 110.402 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.9 -43.32 88.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.226 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -60.8 -48.67 80.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.844 0.354 . . . . 0.0 110.801 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.96 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.7 -48.5 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.455 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -60.7 -39.33 88.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.614 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.8 pt -76.13 -32.34 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.969 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.9 tp -62.59 -44.79 95.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.895 0.379 . . . . 0.0 110.22 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.71 79.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.729 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.97 -2.77 41.67 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -53.76 -38.23 64.21 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.872 -0.517 . . . . 0.0 111.184 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.72 -47.07 86.94 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.699 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.2 tp -60.14 -39.35 86.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.024 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -63.68 -45.44 90.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.936 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.35 94.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.706 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.17 82.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.99 -40.07 83.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 111.115 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -59.32 -34.62 72.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.663 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -117.21 161.73 19.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.855 0.36 . . . . 0.0 110.947 -176.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.06 -172.38 40.01 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -70.08 144.5 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.217 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -126.33 79.94 69.65 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.236 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HB2' HG22 ' A' ' 45' ' ' THR . 80.0 Cg_endo -81.8 158.89 18.74 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 121.496 1.464 . . . . 0.0 112.268 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.54 37.12 3.48 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 43' ' ' PRO . 10.7 t -135.18 159.51 41.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.719 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.5 m80 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.497 -179.832 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 m -57.62 147.17 28.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.805 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.523 HD22 ' C ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -66.41 -14.0 61.51 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 179.195 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.26 -37.57 75.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 118.0 0.364 . . . . 0.0 111.05 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.91 -39.45 92.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.811 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.73 32.21 80.66 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 121.204 -0.522 . . . . 0.0 111.998 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -141.71 96.08 2.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.894 0.347 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.4 pt -113.33 155.22 44.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.415 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -87.6 77.15 1.86 Allowed 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.579 1.519 . . . . 0.0 111.764 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -106.43 -55.28 0.07 OUTLIER Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.25 -177.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.32 139.99 53.43 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.117 1.211 . . . . 0.0 112.145 -172.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.42 -46.82 19.23 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.288 1.325 . . . . 0.0 111.587 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 t -60.87 -24.26 65.79 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.6 m -81.32 -51.21 8.61 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.397 0.618 . . . . 0.0 109.412 -171.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 tt -62.27 -36.75 76.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.933 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' C ' HD23 ' A' ' 16' ' ' LEU . 9.2 tt -62.51 -39.57 93.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.259 177.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.72 -44.92 94.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.351 -176.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.57 -42.57 92.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.963 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.86 -40.41 84.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.347 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.53 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.1 m -60.33 -47.86 84.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.401 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.9 mt -58.43 -45.72 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.22 0.533 . . . . 0.0 110.071 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.07 -47.74 84.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.207 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.34 -42.19 81.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.579 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.6 mt -62.01 -44.63 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -58.84 -43.16 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.904 -173.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.8 mp -76.58 -33.33 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.959 178.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.1 tp -56.78 -39.46 74.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 110.82 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.58 -42.69 83.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.316 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.4 -23.12 61.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.315 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -53.57 -36.06 61.47 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 122.081 -0.387 . . . . 0.0 111.465 -175.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.53 -53.28 59.89 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.85 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.38 -38.85 85.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 111.121 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -63.42 -44.76 93.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.242 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.1 98.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.62 85.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.536 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.19 90.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.947 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -56.05 -37.29 69.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.179 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -71.93 153.53 41.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.748 0.309 . . . . 0.0 110.65 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.21 -21.67 42.25 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.725 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -99.01 121.08 40.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.572 0.686 . . . . 0.0 110.531 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -76.07 139.73 69.32 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-O 118.864 -0.589 . . . . 0.0 109.882 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.41 156.7 3.82 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 121.408 1.405 . . . . 0.0 111.651 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.8 -172.74 38.74 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -80.33 162.79 24.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.56 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.7 m80 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.687 -179.786 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.7 mtp-105 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 p -60.39 149.44 33.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.877 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.25 -30.49 71.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.805 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.2 mt -57.6 -32.62 67.37 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.84 -43.59 90.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.889 0.376 . . . . 0.0 110.069 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.48 -38.15 2.62 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-N 115.978 -0.555 . . . . 0.0 113.069 174.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -107.03 144.68 33.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.498 0.649 . . . . 0.0 111.39 -174.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.3 tt -108.89 140.67 22.1 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -85.6 85.27 1.16 Allowed 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 121.385 1.39 . . . . 0.0 112.581 -176.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 57.62 89.63 0.1 Allowed Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.462 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.33 143.18 35.06 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.256 1.304 . . . . 0.0 111.671 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.8 -62.05 0.11 Allowed 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.226 1.284 . . . . 0.0 112.196 -174.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 t -57.53 -23.24 49.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m -79.05 -54.24 6.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.388 0.613 . . . . 0.0 109.53 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 tt -61.77 -36.27 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.861 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' C ' HD23 ' A' ' 16' ' ' LEU . 9.5 tt -60.58 -39.18 87.12 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.86 0.362 . . . . 0.0 110.273 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -64.67 -46.89 80.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 0.0 110.195 -175.138 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 18' ' ' LEU . 4.5 mm? -60.26 -43.47 96.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.774 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.69 -38.65 82.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.7 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.21 94.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.926 0.393 . . . . 0.0 110.682 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.3 m -60.75 -47.59 85.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.6 -44.44 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.145 -177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.34 -45.88 91.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.789 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 tp -59.12 -44.0 91.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.628 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.37 -49.06 85.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.09 -44.31 97.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.449 -173.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 tt -70.98 -39.61 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -175.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.01 -38.66 86.36 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.551 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.32 -37.31 77.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.625 -0.262 . . . . 0.0 111.326 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.66 38.5 3.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.027 0.441 . . . . 0.0 110.95 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.0 t -55.56 -39.48 70.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.773 0.321 . . . . 0.0 110.981 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.75 -47.38 85.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.941 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.538 ' H ' HD12 ' A' ' 33' ' ' LEU . 6.3 mp -61.62 -39.85 92.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.274 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -64.39 -43.61 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.267 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.32 94.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.009 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.52 97.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.909 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.75 -37.91 89.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.065 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.15 -35.84 67.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.369 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -68.39 134.63 50.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.957 0.408 . . . . 0.0 110.519 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.16 -108.8 0.38 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -99.05 124.9 44.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.271 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -126.26 82.73 65.17 Favored Pre-proline 0 C--O 1.234 0.26 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.418 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.52 112.81 2.77 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.536 1.491 . . . . 0.0 112.172 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.41 179.48 40.91 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.9 m -125.81 141.91 51.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 0.0 110.637 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.435 179.178 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -58.36 -27.7 64.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.08 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.4 mm? -58.77 -35.98 73.65 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 120.497 0.189 . . . . 0.0 111.152 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -58.87 -36.57 74.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.604 0.24 . . . . 0.0 111.208 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.16 -38.35 86.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.651 0.263 . . . . 0.0 110.994 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.92 37.82 74.78 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -108.06 152.1 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.929 0.395 . . . . 0.0 110.804 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.9 mt -113.22 96.9 40.99 Favored Pre-proline 0 CA--C 1.533 0.312 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.77 89.85 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.326 1.351 . . . . 0.0 112.407 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -53.35 -49.74 86.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.363 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -94.9 95.26 0.11 Allowed 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 122.098 1.865 . . . . 0.0 112.758 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.09 -45.74 22.27 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.347 1.364 . . . . 0.0 112.096 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.6 p -62.33 -25.62 67.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.9 p -78.88 -47.09 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.482 0.658 . . . . 0.0 109.458 -172.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.7 pt -65.26 -33.52 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.985 172.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.72 -38.96 83.11 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.834 0.349 . . . . 0.0 110.211 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.5 tp -68.42 -48.91 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.93 0.395 . . . . 0.0 110.758 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.3 -44.97 94.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 0.0 109.924 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.91 -38.23 90.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.606 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.72 85.01 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.222 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.4 p -64.26 -41.55 96.88 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.14 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.85 -47.24 92.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.975 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -61.62 -46.89 87.9 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.847 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.38 -46.28 89.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.689 -173.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.6 pt -68.13 -36.77 76.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.507 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.76 -41.71 95.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.823 0.344 . . . . 0.0 110.793 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.721 HG23 ' HB2' ' A' ' 32' ' ' ALA . 80.2 mt -65.73 -50.98 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.754 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.24 -37.69 88.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.926 -174.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -57.4 -54.83 42.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 173.62 -24.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -52.52 -36.4 55.36 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 122.137 -0.352 . . . . 0.0 111.534 -175.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.721 ' HB2' HG23 ' A' ' 27' ' ' ILE . . . -61.48 -51.9 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 111.035 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.61 -39.13 87.05 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.043 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -65.12 -47.26 77.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 111.339 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.73 94.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.586 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.64 78.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.92 -58.6 3.66 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.482 -175.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.0 t90 -65.84 -46.59 77.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -127.46 167.9 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.334 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.43 -146.87 18.46 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 62.0 103.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 110.391 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 tttt 62.02 72.22 0.66 Allowed Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.332 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.35 128.22 18.92 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 121.314 1.343 . . . . 0.0 111.963 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.87 -36.31 66.04 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -120.54 139.64 52.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.603 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.552 179.622 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m -56.91 -31.22 64.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.779 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.0 tp -56.91 -39.82 75.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.687 0.279 . . . . 0.0 110.772 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.07 -39.01 84.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.78 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.67 -35.2 77.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.317 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.24 1.43 59.4 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.41 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -109.83 146.32 35.25 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.143 0.972 . . . . 0.0 110.376 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.47 ' C ' HD12 ' A' ' 8' ' ' ILE . 2.7 pp -113.49 160.41 31.71 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.505 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -54.11 96.98 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.21 1.273 . . . . 0.0 111.605 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -56.69 151.74 29.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.666 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -57.83 159.56 17.31 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.265 1.31 . . . . 0.0 112.282 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.89 -56.99 1.95 Allowed 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.375 1.383 . . . . 0.0 111.64 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.45 ' HA ' HD12 ' A' ' 16' ' ' LEU . 66.9 p -58.9 -16.73 18.96 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.7 m -81.45 -48.91 11.26 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -174.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.5 mt -58.53 -39.87 76.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.461 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 13' ' ' THR . 90.4 mt -62.85 -36.28 82.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.79 177.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.05 -45.87 91.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.027 0.442 . . . . 0.0 110.381 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.14 -42.64 95.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.891 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.519 HD11 ' HE1' ' A' ' 23' ' ' PHE . 23.4 tp -58.14 -41.67 84.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.167 0.508 . . . . 0.0 110.218 178.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.56 99.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.817 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.1 m -60.15 -44.99 94.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.794 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.13 -52.48 60.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.253 0.549 . . . . 0.0 110.003 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.519 ' HE1' HD11 ' A' ' 19' ' ' LEU . 39.7 m-85 -62.08 -41.47 98.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 -178.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.6 tp -61.21 -44.4 97.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.098 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.8 pt -68.03 -40.82 83.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.658 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.15 -41.18 92.22 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.785 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -71.47 -40.79 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 32' ' ' ALA . 9.9 tp -58.8 -38.88 79.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.336 -175.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.27 -32.94 51.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.908 -176.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.64 -65.6 1.17 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.076 0.465 . . . . 0.0 111.68 -176.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 t -53.7 -43.74 69.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.648 -173.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.618 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -64.27 -41.6 96.84 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.034 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.34 -40.86 83.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.621 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -69.68 -47.96 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.809 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.63 75.93 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.43 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.6 0.238 . . . . 0.0 111.304 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.75 93.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.679 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -60.58 -37.28 80.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.308 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -103.49 -178.27 3.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.779 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.74 -176.55 33.68 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -58.81 -41.53 87.0 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.978 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.9 mptt 52.22 74.81 0.72 Allowed Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.842 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.93 97.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.541 1.494 . . . . 0.0 112.577 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.54 -174.84 44.62 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 m -78.14 137.47 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.345 . . . . 0.0 110.386 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.573 -179.689 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.0 p -58.21 -28.62 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.44 -35.43 77.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.505 0.193 . . . . 0.0 111.468 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.7 mt -58.78 -40.01 82.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.762 0.315 . . . . 0.0 110.78 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.7 mp0 -67.56 -36.56 81.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.173 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.27 36.86 49.47 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -112.24 154.91 24.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.787 0.327 . . . . 0.0 110.54 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.0 pt -110.92 160.58 28.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.387 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -84.56 79.8 2.41 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 121.556 1.504 . . . . 0.0 112.157 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -50.92 -50.01 77.0 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -90.66 108.63 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.08 1.853 . . . . 0.0 111.815 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.16 -50.84 12.61 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 121.344 1.363 . . . . 0.0 112.437 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.0 p -62.29 -24.48 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.0 m -81.42 -49.36 10.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.534 0.683 . . . . 0.0 109.435 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -63.48 -35.23 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.1 174.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.3 tp -62.07 -39.57 92.87 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 120.809 0.338 . . . . 0.0 110.286 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.61 -44.82 92.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.314 0.578 . . . . 0.0 110.246 -177.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.482 ' C ' HD23 ' A' ' 18' ' ' LEU . 9.1 tt -59.5 -42.59 92.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.899 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.3 tp -58.12 -40.3 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.08 99.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.496 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.6 m -59.45 -43.61 93.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.467 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.1 -47.83 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.889 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -59.27 -44.83 92.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.5 tp -59.46 -45.14 92.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.803 -174.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.1 pt -67.95 -42.45 85.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.861 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -61.45 -40.12 93.34 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.186 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.8 mt -66.21 -46.57 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.925 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.05 -42.38 90.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.461 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.54 89.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.55 ' HB1' HD12 ' A' ' 33' ' ' LEU . . . -108.74 40.29 1.83 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.26 0.552 . . . . 0.0 110.589 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 m -54.47 -38.06 65.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.135 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.77 84.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.576 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.55 HD12 ' HB1' ' A' ' 30' ' ' ALA . 82.1 mt -60.59 -37.95 83.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.041 -178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -62.48 -43.84 97.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.029 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.85 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.344 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.54 -35.28 77.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.176 176.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.05 -29.3 69.65 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -52.3 -35.74 51.27 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.493 0.187 . . . . 0.0 111.485 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -105.15 134.8 47.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.8 0.334 . . . . 0.0 110.387 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.62 137.5 3.66 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.03 -38.92 77.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.663 0.268 . . . . 0.0 111.084 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -69.2 151.66 96.95 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.561 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -56.91 164.4 6.21 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.315 1.344 . . . . 0.0 111.878 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.41 -37.5 74.71 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 m -88.28 137.45 32.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.457 179.783 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.6 ttm105 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -58.25 -28.31 64.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.093 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.16 -37.3 79.74 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.634 0.254 . . . . 0.0 111.401 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.29 -39.74 83.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.763 0.316 . . . . 0.0 111.009 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -67.13 -34.84 78.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.545 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.57 -14.44 60.64 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.011 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -98.52 144.01 28.32 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.767 0.783 . . . . 0.0 110.342 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 tp -82.38 140.05 45.04 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -84.6 77.06 3.19 Favored 'Trans proline' 0 N--CA 1.488 1.195 0 C-N-CA 121.218 1.278 . . . . 0.0 111.69 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 58.09 95.32 0.05 OUTLIER Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.468 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -45.76 -44.39 18.03 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.444 1.429 . . . . 0.0 114.372 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -44.1 -68.7 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.406 1.404 . . . . 0.0 113.145 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.523 ' HA ' HD12 ' A' ' 16' ' ' LEU . 7.1 t -59.16 -17.92 31.52 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.1 t -77.96 -54.38 6.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.533 0.682 . . . . 0.0 109.44 -173.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 tp -61.34 -32.71 53.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.231 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 13' ' ' THR . 90.2 mt -62.74 -37.47 86.68 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.43 174.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.62 -46.01 90.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.208 0.527 . . . . 0.0 110.253 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 18' ' ' LEU . 6.9 mp -60.24 -41.92 94.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.04 177.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.84 -40.01 79.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.386 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.73 96.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.746 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.5 m -60.49 -47.19 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 110.525 -177.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.12 -44.01 90.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.114 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.74 -45.61 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.636 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 24' ' ' LEU . 9.2 tt -58.77 -43.6 90.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.5 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.76 -47.69 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.27 -41.05 87.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -175.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 pt -76.18 -31.5 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -63.06 -40.61 98.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.639 0.257 . . . . 0.0 110.442 179.205 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.91 81.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.629 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.18 90.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.047 0.451 . . . . 0.0 110.623 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.3 m -56.52 -38.26 71.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.748 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.75 93.07 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.749 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.08 -40.51 89.79 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.855 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -65.7 -44.94 84.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.385 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.53 93.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.209 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.79 80.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.812 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.21 -41.18 97.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.45 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -96.51 16.3 19.12 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -89.53 135.56 33.53 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.83 0.348 . . . . 0.0 110.461 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.48 -108.1 0.2 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -58.87 -35.93 73.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.445 0.164 . . . . 0.0 111.412 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.88 150.69 67.71 Favored Pre-proline 0 CA--C 1.532 0.253 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.556 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -89.06 92.53 0.36 Allowed 'Trans proline' 0 N--CA 1.489 1.255 0 C-N-CA 121.711 1.607 . . . . 0.0 112.382 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.88 -159.68 38.14 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.3 p -118.89 162.29 18.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.766 0.317 . . . . 0.0 110.498 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.1 m80 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.586 -179.837 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -56.92 -30.48 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.865 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.91 -39.27 71.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 110.873 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 4' ' ' LEU . 6.8 mp -62.37 -37.51 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.061 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.57 -35.47 74.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.27 38.19 15.75 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.53 144.31 37.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.32 . . . . 0.0 110.58 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -72.97 155.4 90.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.151 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -79.85 76.95 4.27 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.236 1.29 . . . . 0.0 112.036 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 58.49 166.01 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.173 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -70.95 151.0 61.87 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.475 1.45 . . . . 0.0 111.967 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.0 -67.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.369 1.379 . . . . 0.0 112.147 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.6 p -59.41 -16.4 22.99 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.5 m -80.35 -47.74 14.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 -173.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.8 pt -67.83 -30.97 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.34 173.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.68 -41.21 98.98 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.997 0.427 . . . . 0.0 110.024 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.23 -44.6 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.122 0.487 . . . . 0.0 110.328 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.4 tp -61.37 -42.11 98.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.11 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.7 tp -58.97 -40.06 83.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.497 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -53.77 40.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.959 0.409 . . . . 0.0 110.759 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 p -64.05 -49.13 73.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 -173.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.545 HD12 ' N ' ' A' ' 23' ' ' PHE . 2.6 pp -62.18 -41.55 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.73 -174.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.545 ' N ' HD12 ' A' ' 22' ' ' ILE . 60.0 t80 -59.24 -48.54 81.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.036 0.445 . . . . 0.0 110.2 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.5 mt -58.08 -43.51 87.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.63 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.23 -47.67 92.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.72 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -59.85 -40.89 90.07 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.54 -174.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -67.93 -47.47 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.364 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.49 -41.0 98.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.658 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -68.2 -54.77 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.325 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 172.79 86.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.033 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 84.6 p -56.31 -37.55 70.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.117 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.12 -57.94 8.91 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.251 -176.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.95 -37.71 80.36 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.326 -175.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 40.4 t-105 -64.82 -47.45 77.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.773 0.321 . . . . 0.0 111.232 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.96 94.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.393 -177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.01 -36.46 77.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.303 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 -40.18 95.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.857 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -61.28 -35.08 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.597 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -101.02 139.59 36.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.983 0.42 . . . . 0.0 111.012 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.76 117.7 0.61 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.3 151.11 30.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.818 0.342 . . . . 0.0 110.638 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -67.51 152.95 95.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.544 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -86.23 108.32 0.89 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 121.642 1.561 . . . . 0.0 112.123 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.76 -38.35 72.7 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.1 p -125.71 161.94 26.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.759 0.314 . . . . 0.0 110.389 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.514 179.761 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -60.62 149.33 35.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.615 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.95 -38.06 84.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.989 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.0 tp -58.87 -35.51 73.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.211 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.32 -36.54 73.53 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.162 -177.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.59 48.89 12.12 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -54.25 143.69 22.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.002 0.429 . . . . 0.0 111.218 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 86.7 mt -109.79 143.4 27.81 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -47.26 97.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 121.433 1.422 . . . . 0.0 112.478 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -80.73 -54.09 0.79 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.983 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -43.37 -47.58 8.93 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.555 1.504 . . . . 0.0 114.765 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.04 -69.17 0.08 OUTLIER 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 120.971 1.114 . . . . 0.0 111.932 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.1 p -64.29 -11.59 33.32 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -81.44 -49.36 10.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.616 0.722 . . . . 0.0 109.188 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.3 mt -62.45 -40.71 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.153 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.67 -40.65 88.5 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.331 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.482 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.6 tt -67.19 -44.8 78.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.246 0.546 . . . . 0.0 110.534 -175.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -60.65 -42.41 96.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.888 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 19' ' ' LEU . 9.1 tt -58.81 -41.63 87.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.161 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.76 91.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.5 m -62.4 -47.91 82.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.34 -44.49 96.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.48 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.48 -49.84 75.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.074 0.464 . . . . 0.0 110.631 -176.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.8 -48.07 83.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 -173.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 tt -65.37 -35.7 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.382 -176.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.49 -43.73 96.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.825 0.345 . . . . 0.0 110.814 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 mm -66.88 -46.71 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.239 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.21 -39.77 87.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.699 0.285 . . . . 0.0 111.186 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.53 -48.24 80.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.102 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 52.49 34.94 16.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 111.53 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -55.46 -38.23 68.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.192 -176.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.76 -52.42 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.998 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.51 -39.37 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.137 -177.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -63.75 -45.06 91.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.355 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.16 87.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.158 -177.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.42 96.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.858 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.0 80.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.409 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -56.37 -44.16 79.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.051 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -127.13 136.69 52.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.831 0.348 . . . . 0.0 110.812 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.42 164.95 29.68 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 54.73 95.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.729 0.3 . . . . 0.0 111.027 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 153.66 22.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.61 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.69 -24.4 11.81 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.368 1.379 . . . . 0.0 112.937 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.68 -35.48 52.38 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.624 -0.591 . . . . 0.0 111.624 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -120.71 139.05 53.62 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.791 0.329 . . . . 0.0 110.331 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.4 m170 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.599 -179.768 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 m -56.76 -30.77 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.847 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt -57.32 -38.31 73.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.619 0.247 . . . . 0.0 110.914 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.471 ' C ' HD23 ' A' ' 4' ' ' LEU . 9.5 tt -59.51 -40.96 88.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.549 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.12 -36.58 82.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.24 34.48 41.0 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 121.162 -0.542 . . . . 0.0 111.926 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -122.04 165.7 15.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.927 0.363 . . . . 0.0 110.696 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.401 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -61.65 158.16 42.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -179.488 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -80.2 76.71 4.39 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.029 1.153 . . . . 0.0 111.788 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.63 165.36 7.55 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.668 176.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.34 103.16 1.49 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.453 1.435 . . . . 0.0 111.901 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -54.67 -69.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 121.361 1.374 . . . . 0.0 112.544 -174.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.2 p -57.54 -18.02 17.02 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -174.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 m -81.6 -50.25 9.56 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.651 0.738 . . . . 0.0 109.273 -172.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.9 mm -60.97 -40.97 87.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.304 173.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.0 -37.36 84.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.806 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.7 tt -64.31 -45.85 86.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.129 0.49 . . . . 0.0 110.246 -176.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.74 -42.98 94.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.858 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.74 -38.29 87.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.87 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.55 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.3 m -61.79 -51.82 66.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 -176.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.0 tp -61.19 -33.47 56.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.577 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -62.82 -52.85 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.643 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.37 -47.16 87.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.009 -175.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.2 mm -62.45 -44.01 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.787 -176.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -59.48 -41.56 90.07 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.033 -175.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.17 -49.09 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.878 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.27 -42.85 99.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.128 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.28 79.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.294 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 50.15 19.44 0.5 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 m -56.63 -38.79 72.59 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 122.225 -0.297 . . . . 0.0 110.81 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.58 81.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.93 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.2 -39.58 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.977 -177.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -63.09 -45.28 92.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.107 -178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.96 99.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.014 -178.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.25 79.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.0 -34.66 78.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.494 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -55.73 -37.96 69.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.46 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -124.24 148.61 47.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.014 0.435 . . . . 0.0 111.077 -177.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.46 -107.87 0.76 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -105.8 145.77 30.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 110.311 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -66.65 150.02 97.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.6 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -91.36 35.53 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.801 1.667 . . . . 0.0 112.182 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.76 179.21 53.47 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.8 m -124.01 140.44 52.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.427 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.5 m80 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.596 179.855 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m 60.99 -84.12 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.126 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.43 -41.41 80.39 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 117.998 0.363 . . . . 0.0 110.525 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.72 -40.08 96.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.725 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.78 -34.94 79.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.481 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.09 41.04 14.73 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -60.76 140.54 57.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.609 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.567 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -113.49 159.51 35.08 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.241 179.675 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -55.39 97.21 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.324 1.349 . . . . 0.0 112.164 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 56.04 85.17 0.2 Allowed Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -58.24 151.07 62.28 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.337 1.358 . . . . 0.0 111.81 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -53.49 -62.69 0.3 Allowed 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.32 1.347 . . . . 0.0 111.995 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.3 m -52.97 -28.23 22.8 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -77.05 -55.52 5.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.704 . . . . 0.0 109.654 -169.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.9 tt -61.2 -35.6 66.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.988 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.21 -36.12 83.02 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.699 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.11 -47.14 78.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.003 0.43 . . . . 0.0 110.017 -176.525 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 18' ' ' LEU . 6.6 mp -61.39 -42.4 98.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.076 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' C ' HD23 ' A' ' 19' ' ' LEU . 9.1 tt -59.1 -40.54 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.416 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.96 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.96 0.41 . . . . 0.0 110.781 -177.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.6 m -61.78 -48.53 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.3 pt -64.11 -36.56 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.46 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.601 ' CE2' HD11 ' A' ' 27' ' ' ILE . 76.5 t80 -62.95 -50.48 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.192 0.52 . . . . 0.0 110.482 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.3 tp -61.9 -46.79 87.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.964 -174.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.6 tt -65.75 -40.58 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.562 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.37 -39.68 88.1 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.034 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.601 HD11 ' CE2' ' A' ' 23' ' ' PHE . 74.8 mt -66.34 -50.17 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.571 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.08 -31.86 70.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.04 -176.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.66 -31.21 1.82 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.4 -36.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.845 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.0 m -55.04 -39.7 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 111.214 -175.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.31 -47.5 79.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.866 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.32 -39.61 87.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.048 -176.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -65.06 -47.1 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.17 -177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.32 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.028 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.75 -31.54 72.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.769 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.99 84.4 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.794 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -66.44 -46.05 77.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.768 0.318 . . . . 0.0 110.878 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -127.31 125.16 40.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.609 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -159.24 128.66 2.06 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -118.89 153.19 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.426 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -125.33 80.15 65.59 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.43 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -83.23 -51.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 121.564 1.509 . . . . 0.0 112.052 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.66 -175.66 50.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.563 HG22 ' ND1' ' A' ' 46' ' ' HIS . 24.9 m -120.43 138.1 53.96 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.563 ' ND1' HG22 ' A' ' 45' ' ' THR . 67.2 m80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.676 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -56.82 -31.61 64.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.613 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.2 tp -56.96 -39.82 75.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.723 0.297 . . . . 0.0 110.728 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -60.52 -40.78 92.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.298 179.75 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.15 -36.77 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.111 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.27 -37.73 3.33 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.86 142.97 55.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.738 0.304 . . . . 0.0 110.662 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 pt -94.04 153.75 40.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.499 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -83.93 77.24 3.37 Favored 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.45 1.434 . . . . 0.0 112.217 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.06 -55.01 0.08 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -53.86 -47.84 24.97 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.19 1.26 . . . . 0.0 113.781 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.19 -64.46 0.25 Allowed 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.414 1.409 . . . . 0.0 113.112 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -61.72 -19.52 62.5 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.0 t -81.43 -48.94 11.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.674 0.749 . . . . 0.0 109.318 -172.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.39 -39.68 83.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.335 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.61 -39.67 89.02 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.364 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -64.32 -46.48 83.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.309 0.576 . . . . 0.0 110.498 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -59.88 -42.84 94.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.849 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.17 -39.85 79.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.394 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.62 96.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.28 -50.09 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 0.0 110.489 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mm -59.7 -42.02 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.91 -45.39 90.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.143 0.497 . . . . 0.0 110.207 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.16 -42.13 85.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.359 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.27 -43.85 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.927 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -58.56 -39.21 79.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.978 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.8 mt -63.12 -48.56 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.477 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.43 -42.22 95.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.906 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -64.69 -41.29 96.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.783 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . 78.74 -22.43 0.29 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.662 0.785 . . . . 0.0 112.883 179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.3 p -58.79 -37.69 76.88 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 118.149 0.431 . . . . 0.0 110.822 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.18 86.29 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.611 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.82 -39.31 88.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.024 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -62.78 -45.87 90.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.83 0.348 . . . . 0.0 111.018 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.87 95.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HB1' ' OE1' ' A' ' 41' ' ' GLN . . . -63.23 -29.54 70.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.02 178.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.67 -32.74 59.77 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -55.11 -38.41 68.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.666 0.269 . . . . 0.0 111.118 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -113.65 138.17 50.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 110.469 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.99 110.26 2.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.42 ' OE1' ' HB1' ' A' ' 36' ' ' ALA . 63.1 tt0 -108.38 136.73 47.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.372 . . . . 0.0 110.468 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -63.57 153.79 81.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.95 -50.89 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.25 1.3 . . . . 0.0 112.047 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.25 -175.38 43.56 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.7 m -80.13 137.52 36.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.464 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.535 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -58.23 -26.82 63.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.206 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 3' ' ' LEU . 9.7 tt -56.12 -42.48 76.91 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.659 0.266 . . . . 0.0 110.751 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.466 ' C ' HD23 ' A' ' 4' ' ' LEU . 9.2 tt -60.19 -41.86 93.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.344 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.19 -36.15 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.17 29.59 40.66 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.21 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -127.09 156.66 41.37 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 117.073 0.437 . . . . 0.0 110.531 178.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 tp -101.47 140.17 21.02 Favored Pre-proline 0 CA--C 1.534 0.337 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -89.48 77.12 1.12 Allowed 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.552 1.501 . . . . 0.0 112.478 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -80.96 -53.45 0.79 Allowed Pre-proline 0 CA--C 1.535 0.37 0 CA-C-O 118.754 -0.641 . . . . 0.0 112.212 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -48.83 -51.16 10.97 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 120.939 1.093 . . . . 0.0 112.851 -176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -49.27 -63.0 0.34 Allowed 'Trans proline' 0 N--CA 1.497 1.682 0 C-N-CA 121.207 1.271 . . . . 0.0 112.228 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -53.89 -26.66 26.09 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -81.57 -48.1 12.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.608 0.718 . . . . 0.0 109.605 -169.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.75 -39.13 82.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.266 173.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.53 -37.66 88.17 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.491 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.481 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.5 tt -63.57 -45.8 88.8 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.223 0.535 . . . . 0.0 110.26 -177.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -59.67 -43.4 94.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.782 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 tp -57.99 -39.23 77.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.406 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.7 93.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.464 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.8 m -58.5 -47.08 85.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.133 0.492 . . . . 0.0 110.269 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.68 -41.24 81.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.31 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.15 -45.98 89.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.833 0.349 . . . . 0.0 110.683 -177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mp -59.96 -44.59 94.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.4 mm -61.81 -47.05 95.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.548 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -61.94 -44.48 96.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.599 -174.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 tt -69.82 -36.43 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.996 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.57 -42.01 98.36 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.664 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.6 80.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.35 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.42 34.73 0.81 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.862 0.363 . . . . 0.0 111.462 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t -55.73 -38.87 70.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.747 0.308 . . . . 0.0 111.006 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.06 -48.12 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.313 . . . . 0.0 110.835 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.84 -38.78 86.64 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.067 -177.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -62.99 -44.7 95.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.069 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.43 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.728 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.34 80.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.94 -36.58 79.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.613 0.244 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -55.18 -37.05 66.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.151 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -104.76 146.21 29.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.99 -177.62 45.76 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -106.99 146.32 31.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.611 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -136.43 160.51 66.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.313 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.2 -40.5 49.9 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.168 1.245 . . . . 0.0 111.761 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.39 -122.58 25.5 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -119.4 140.73 49.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.782 0.325 . . . . 0.0 110.357 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 63.5 m170 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.599 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo . . . . . 0 N--CA 1.495 1.587 0 CA-C-O 120.93 0.304 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.7 p -62.84 -15.03 52.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.4 p -81.53 -49.14 10.92 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.612 0.72 . . . . 0.0 109.082 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.34 -41.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.214 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' C ' HD23 ' A' ' 16' ' ' LEU . 9.3 tt -59.36 -39.84 84.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.963 0.411 . . . . 0.0 110.396 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.7 -43.57 96.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.148 0.499 . . . . 0.0 110.359 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -59.29 -42.7 91.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.811 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.57 -39.14 86.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.91 90.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.784 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.5 m -61.85 -47.5 84.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.739 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.6 pt -63.83 -37.94 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.333 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -62.74 -50.24 71.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.526 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.48 -44.44 94.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.74 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 26' ' ' LYS . 8.9 tp -67.29 -45.11 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.429 -0.509 . . . . 0.0 111.616 -175.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.405 ' N ' HG23 ' A' ' 25' ' ' ILE . 28.8 mmtp -64.34 -43.01 95.95 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.818 -177.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -69.46 -37.93 76.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.564 -0.455 . . . . 0.0 111.864 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.771 0.32 . . . . 0.0 110.829 -179.573 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo . . . . . 0 N--CA 1.497 1.678 0 CA-C-O 120.973 0.322 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 t -58.86 -16.85 19.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.4 t -80.83 -53.71 6.24 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.531 0.681 . . . . 0.0 109.541 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 tt -63.15 -36.16 74.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.03 174.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.9 tp -63.01 -39.05 93.61 Favored 'General case' 0 C--N 1.334 -0.086 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.389 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.7 tt -64.11 -44.66 91.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.145 0.498 . . . . 0.0 110.237 -176.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.78 -42.5 93.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.927 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.1 tp -58.23 -40.14 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.389 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.67 93.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.675 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.0 m -59.36 -46.93 87.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.107 0.48 . . . . 0.0 110.348 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.49 -43.08 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.113 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.95 -45.37 90.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.437 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.5 mt -57.76 -43.36 85.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.7 mm -62.35 -45.05 99.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.641 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -58.32 -40.24 81.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.975 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.13 -49.32 68.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.713 -176.356 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo . . . . . 0 N--CA 1.496 1.619 0 CA-C-O 120.524 0.135 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.5 p -56.67 -19.24 15.43 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 t -81.41 -53.12 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.4 0.619 . . . . 0.0 109.432 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.3 pt -61.97 -32.86 55.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.184 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.81 -37.14 86.61 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.565 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.43 -46.55 88.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.097 0.475 . . . . 0.0 110.011 -177.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 18' ' ' LEU . 6.8 mp -60.81 -42.44 97.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.052 178.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -58.79 -39.5 81.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.57 81.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 110.809 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.5 m -61.71 -51.39 68.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.037 0.446 . . . . 0.0 110.557 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.7 tt -61.86 -35.7 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.315 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 27' ' ' ILE . 49.4 t80 -62.34 -48.17 81.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.005 0.431 . . . . 0.0 110.394 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.68 -42.07 87.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.4 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.34 -43.54 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.965 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.62 -39.21 79.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.411 HD11 ' CE1' ' A' ' 23' ' ' PHE . 73.9 mt -61.77 -48.67 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.972 0.415 . . . . 0.0 110.29 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.883 -176.293 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 N--CA 1.495 1.601 0 CA-C-O 120.72 0.217 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.8 p -61.35 -15.65 38.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 m -81.34 -51.86 7.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.367 0.603 . . . . 0.0 109.401 -172.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.6 tt -64.31 -35.9 75.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.091 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.48 -40.0 92.96 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.277 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.26 -45.21 85.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.175 0.512 . . . . 0.0 110.478 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.82 -42.38 97.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.003 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 19' ' ' LEU . 9.6 tt -59.05 -40.57 85.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.17 71.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.982 0.42 . . . . 0.0 110.697 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.2 m -61.72 -51.15 69.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.636 -174.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.82 -37.64 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.178 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.69 -52.17 66.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.258 0.551 . . . . 0.0 110.404 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.39 -43.39 97.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.582 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.3 pt -67.59 -42.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.522 -0.471 . . . . 0.0 112.065 -173.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -63.75 -39.77 95.09 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.511 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.8 mt -66.9 -45.8 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.039 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 tp . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.778 -176.144 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 N--CA 1.495 1.614 0 CA-C-O 120.937 0.307 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 t -57.56 -17.9 16.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.0 m -81.39 -51.47 8.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.499 0.666 . . . . 0.0 109.554 -171.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.7 tt -65.04 -34.12 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.23 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.74 -39.43 94.27 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.124 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.6 tt -64.33 -45.27 88.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.276 0.56 . . . . 0.0 110.142 -177.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.29 -42.54 95.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.896 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.9 -40.07 79.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.371 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.33 89.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.004 0.43 . . . . 0.0 110.635 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.7 m -60.95 -47.91 84.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.9 -43.12 87.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.166 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.34 -46.27 89.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.977 0.418 . . . . 0.0 110.497 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -59.56 -43.11 93.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.218 -177.19 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.59 -46.97 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.474 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.18 -43.66 98.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.501 -173.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -70.07 -35.63 64.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.662 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 tp . . . . . 0 C--N 1.332 -0.19 0 CA-C-O 120.827 0.346 . . . . 0.0 110.691 177.189 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo . . . . . 0 N--CA 1.496 1.627 0 CA-C-O 120.691 0.204 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 p -63.54 -22.33 66.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 m -78.53 -50.26 11.89 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.7 mm -59.5 -39.02 78.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.514 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.83 -38.17 78.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.388 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -61.85 -45.58 93.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 110.374 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 18' ' ' LEU . 7.0 mp -59.69 -43.06 94.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.942 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.36 -38.84 85.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.603 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.36 88.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.75 -176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.4 m -60.27 -47.84 84.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 0.0 110.499 -177.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -59.76 -44.43 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.433 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.699 ' CE2' HD11 ' A' ' 27' ' ' ILE . 75.2 t80 -60.85 -49.51 77.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 110.825 -176.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.51 -44.8 96.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.086 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.2 pt -66.98 -37.92 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.703 -175.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -61.13 -40.05 92.35 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.831 -0.347 . . . . 0.0 110.989 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.699 HD11 ' CE2' ' A' ' 23' ' ' PHE . 76.9 mt -65.28 -47.79 85.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.748 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.607 -177.094 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.495 1.61 0 CA-C-O 120.718 0.216 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.7 p -58.73 -17.38 22.51 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.3 t -80.55 -52.31 7.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.58 0.705 . . . . 0.0 109.423 -172.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.6 tt -64.81 -35.05 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.162 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.87 -37.76 88.57 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.726 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.74 -45.13 79.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.971 0.415 . . . . 0.0 110.678 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.68 -42.96 94.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.914 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.22 -40.2 89.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.13 85.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.949 0.404 . . . . 0.0 110.694 -176.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.71 -51.64 66.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.713 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.8 tt -62.52 -35.57 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.565 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -65.71 -52.31 52.37 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.631 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.4 -47.08 86.8 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.311 -175.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 tt -64.83 -36.65 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.455 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -61.1 -43.49 98.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.7 mm -66.32 -47.35 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.37 . . . . 0.0 110.979 -177.392 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo . . . . . 0 N--CA 1.496 1.629 0 N-CA-C 112.684 0.225 . . . . 0.0 112.684 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 p -60.91 -20.09 61.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -81.61 -51.46 8.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.527 0.68 . . . . 0.0 109.418 -171.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.2 tp -63.76 -35.12 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.14 174.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.87 -40.14 94.33 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.946 0.403 . . . . 0.0 110.206 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.64 -45.2 87.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.249 0.547 . . . . 0.0 110.38 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.3 -42.89 96.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.992 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -58.74 -40.41 83.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.05 179.278 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.0 -47.72 83.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.598 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.3 m -59.3 -47.39 85.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.045 0.45 . . . . 0.0 110.402 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.9 -43.32 88.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.226 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -60.8 -48.67 80.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.844 0.354 . . . . 0.0 110.801 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.96 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.7 -48.5 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.455 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -60.7 -39.33 88.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.614 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.8 pt -76.13 -32.34 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.969 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 C--N 1.332 -0.173 0 CA-C-O 120.895 0.379 . . . . 0.0 110.22 178.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo . . . . . 0 N--CA 1.497 1.683 0 CA-C-O 120.837 0.266 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 t -60.87 -24.26 65.79 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.6 m -81.32 -51.21 8.61 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.397 0.618 . . . . 0.0 109.412 -171.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 tt -62.27 -36.75 76.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.933 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' C ' HD23 ' A' ' 16' ' ' LEU . 9.2 tt -62.51 -39.57 93.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.259 177.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.72 -44.92 94.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.351 -176.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.57 -42.57 92.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.963 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.86 -40.41 84.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.347 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.53 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.1 m -60.33 -47.86 84.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.401 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.9 mt -58.43 -45.72 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.22 0.533 . . . . 0.0 110.071 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.07 -47.74 84.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.207 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.34 -42.19 81.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.579 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.6 mt -62.01 -44.63 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -58.84 -43.16 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.904 -173.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.8 mp -76.58 -33.33 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.959 178.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.1 tp . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 110.82 -176.602 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo . . . . . 0 N--CA 1.495 1.592 0 CA-C-O 120.732 0.222 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 t -57.53 -23.24 49.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m -79.05 -54.24 6.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.388 0.613 . . . . 0.0 109.53 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 tt -61.77 -36.27 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.861 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' C ' HD23 ' A' ' 16' ' ' LEU . 9.5 tt -60.58 -39.18 87.12 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.86 0.362 . . . . 0.0 110.273 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -64.67 -46.89 80.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 0.0 110.195 -175.138 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 18' ' ' LEU . 4.5 mm? -60.26 -43.47 96.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.774 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.69 -38.65 82.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.7 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.21 94.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.926 0.393 . . . . 0.0 110.682 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.3 m -60.75 -47.59 85.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.6 -44.44 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.145 -177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.34 -45.88 91.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.789 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 tp -59.12 -44.0 91.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.628 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.37 -49.06 85.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.09 -44.31 97.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.449 -173.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 tt -70.98 -39.61 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -175.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--N 1.33 -0.256 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.551 -179.091 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo . . . . . 0 N--CA 1.496 1.624 0 CA-C-O 120.64 0.183 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.6 p -62.33 -25.62 67.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.9 p -78.88 -47.09 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.482 0.658 . . . . 0.0 109.458 -172.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.7 pt -65.26 -33.52 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.985 172.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.72 -38.96 83.11 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.834 0.349 . . . . 0.0 110.211 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.5 tp -68.42 -48.91 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.93 0.395 . . . . 0.0 110.758 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.3 -44.97 94.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 0.0 109.924 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.91 -38.23 90.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.606 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.72 85.01 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.222 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.4 p -64.26 -41.55 96.88 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.14 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.85 -47.24 92.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.975 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -61.62 -46.89 87.9 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.847 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.38 -46.28 89.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.689 -173.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.6 pt -68.13 -36.77 76.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.507 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.76 -41.71 95.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.823 0.344 . . . . 0.0 110.793 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.73 -50.98 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.754 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.926 -174.78 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo . . . . . 0 N--CA 1.495 1.575 0 CA-C-O 120.731 0.221 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.45 ' HA ' HD12 ' A' ' 16' ' ' LEU . 66.9 p -58.9 -16.73 18.96 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.7 m -81.45 -48.91 11.26 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -174.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.5 mt -58.53 -39.87 76.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.461 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 13' ' ' THR . 90.4 mt -62.85 -36.28 82.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.79 177.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.05 -45.87 91.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.027 0.442 . . . . 0.0 110.381 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.14 -42.64 95.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.891 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.519 HD11 ' HE1' ' A' ' 23' ' ' PHE . 23.4 tp -58.14 -41.67 84.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.167 0.508 . . . . 0.0 110.218 178.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.56 99.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.817 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.1 m -60.15 -44.99 94.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.794 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.13 -52.48 60.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.253 0.549 . . . . 0.0 110.003 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.519 ' HE1' HD11 ' A' ' 19' ' ' LEU . 39.7 m-85 -62.08 -41.47 98.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 -178.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.6 tp -61.21 -44.4 97.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.098 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.8 pt -68.03 -40.82 83.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.658 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.15 -41.18 92.22 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.785 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -71.47 -40.79 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.336 -175.412 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo . . . . . 0 N--CA 1.496 1.66 0 CA-C-O 120.714 0.214 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.0 p -62.29 -24.48 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.0 m -81.42 -49.36 10.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.534 0.683 . . . . 0.0 109.435 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -63.48 -35.23 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.1 174.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.3 tp -62.07 -39.57 92.87 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 120.809 0.338 . . . . 0.0 110.286 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.61 -44.82 92.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.314 0.578 . . . . 0.0 110.246 -177.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.482 ' C ' HD23 ' A' ' 18' ' ' LEU . 9.1 tt -59.5 -42.59 92.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.899 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.3 tp -58.12 -40.3 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.08 99.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.496 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.6 m -59.45 -43.61 93.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.467 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.1 -47.83 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.889 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -59.27 -44.83 92.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.5 tp -59.46 -45.14 92.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.803 -174.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.1 pt -67.95 -42.45 85.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.861 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -61.45 -40.12 93.34 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.186 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.8 mt -66.21 -46.57 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.925 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.461 -177.245 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo . . . . . 0 N--CA 1.498 1.77 0 N-CA-C 113.145 0.402 . . . . 0.0 113.145 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.523 ' HA ' HD12 ' A' ' 16' ' ' LEU . 7.1 t -59.16 -17.92 31.52 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.1 t -77.96 -54.38 6.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.533 0.682 . . . . 0.0 109.44 -173.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 tp -61.34 -32.71 53.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.231 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 13' ' ' THR . 90.2 mt -62.74 -37.47 86.68 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.43 174.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.62 -46.01 90.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.208 0.527 . . . . 0.0 110.253 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 18' ' ' LEU . 6.9 mp -60.24 -41.92 94.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.04 177.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.84 -40.01 79.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.386 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.73 96.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.746 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.5 m -60.49 -47.19 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 110.525 -177.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.12 -44.01 90.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.114 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.74 -45.61 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.636 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 24' ' ' LEU . 9.2 tt -58.77 -43.6 90.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.5 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.76 -47.69 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.27 -41.05 87.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -175.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 pt -76.18 -31.5 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.639 0.257 . . . . 0.0 110.442 179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 N--CA 1.496 1.67 0 CA-C-O 120.739 0.225 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.6 p -59.41 -16.4 22.99 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.5 m -80.35 -47.74 14.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 -173.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.8 pt -67.83 -30.97 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.34 173.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.68 -41.21 98.98 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.997 0.427 . . . . 0.0 110.024 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.23 -44.6 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.122 0.487 . . . . 0.0 110.328 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.4 tp -61.37 -42.11 98.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.11 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.7 tp -58.97 -40.06 83.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.497 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -53.77 40.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.959 0.409 . . . . 0.0 110.759 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 p -64.05 -49.13 73.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 -173.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.545 HD12 ' N ' ' A' ' 23' ' ' PHE . 2.6 pp -62.18 -41.55 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.73 -174.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.545 ' N ' HD12 ' A' ' 22' ' ' ILE . 60.0 t80 -59.24 -48.54 81.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.036 0.445 . . . . 0.0 110.2 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.5 mt -58.08 -43.51 87.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.63 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.23 -47.67 92.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.72 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -59.85 -40.89 90.07 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.54 -174.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -67.93 -47.47 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.364 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--N 1.329 -0.313 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.658 -175.328 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.498 1.764 0 CA-C-O 120.726 0.219 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.1 p -64.29 -11.59 33.32 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -81.44 -49.36 10.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.616 0.722 . . . . 0.0 109.188 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.3 mt -62.45 -40.71 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.153 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.67 -40.65 88.5 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.331 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.482 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.6 tt -67.19 -44.8 78.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.246 0.546 . . . . 0.0 110.534 -175.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -60.65 -42.41 96.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.888 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 19' ' ' LEU . 9.1 tt -58.81 -41.63 87.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.161 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.76 91.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.5 m -62.4 -47.91 82.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.34 -44.49 96.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.48 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.48 -49.84 75.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.074 0.464 . . . . 0.0 110.631 -176.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.8 -48.07 83.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 -173.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 tt -65.37 -35.7 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.382 -176.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.49 -43.73 96.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.825 0.345 . . . . 0.0 110.814 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 mm -66.88 -46.71 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.239 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.699 0.285 . . . . 0.0 111.186 -176.169 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo . . . . . 0 N--CA 1.496 1.664 0 CA-C-O 120.719 0.216 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.2 p -57.54 -18.02 17.02 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -174.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 m -81.6 -50.25 9.56 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.651 0.738 . . . . 0.0 109.273 -172.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.9 mm -60.97 -40.97 87.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.304 173.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.0 -37.36 84.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.806 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.7 tt -64.31 -45.85 86.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.129 0.49 . . . . 0.0 110.246 -176.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.74 -42.98 94.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.858 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.74 -38.29 87.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.87 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.55 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.3 m -61.79 -51.82 66.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 -176.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.0 tp -61.19 -33.47 56.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.577 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -62.82 -52.85 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.643 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.37 -47.16 87.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.009 -175.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.2 mm -62.45 -44.01 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.787 -176.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -59.48 -41.56 90.07 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.033 -175.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.17 -49.09 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.878 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.128 -175.52 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo . . . . . 0 N--CA 1.495 1.576 0 CA-C-O 120.914 0.297 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.3 m -52.97 -28.23 22.8 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -77.05 -55.52 5.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.704 . . . . 0.0 109.654 -169.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.9 tt -61.2 -35.6 66.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.988 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.21 -36.12 83.02 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.699 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.11 -47.14 78.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.003 0.43 . . . . 0.0 110.017 -176.525 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 18' ' ' LEU . 6.6 mp -61.39 -42.4 98.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.076 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' C ' HD23 ' A' ' 19' ' ' LEU . 9.1 tt -59.1 -40.54 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.416 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.96 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.96 0.41 . . . . 0.0 110.781 -177.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.6 m -61.78 -48.53 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.3 pt -64.11 -36.56 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.46 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.601 ' CE2' HD11 ' A' ' 27' ' ' ILE . 76.5 t80 -62.95 -50.48 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.192 0.52 . . . . 0.0 110.482 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.3 tp -61.9 -46.79 87.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.964 -174.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.6 tt -65.75 -40.58 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.562 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.37 -39.68 88.1 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.034 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.601 HD11 ' CE2' ' A' ' 23' ' ' PHE . 74.8 mt -66.34 -50.17 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.571 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.04 -176.377 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo . . . . . 0 N--CA 1.497 1.696 0 N-CA-C 113.112 0.389 . . . . 0.0 113.112 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -61.72 -19.52 62.5 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.0 t -81.43 -48.94 11.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.674 0.749 . . . . 0.0 109.318 -172.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.39 -39.68 83.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.335 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.61 -39.67 89.02 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.364 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -64.32 -46.48 83.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.309 0.576 . . . . 0.0 110.498 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -59.88 -42.84 94.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.849 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.17 -39.85 79.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.394 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.62 96.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.28 -50.09 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 0.0 110.489 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mm -59.7 -42.02 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.91 -45.39 90.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.143 0.497 . . . . 0.0 110.207 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.16 -42.13 85.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.359 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.27 -43.85 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.927 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -58.56 -39.21 79.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.978 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.8 mt -63.12 -48.56 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.477 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.906 -176.038 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 N--CA 1.497 1.682 0 CA-C-O 120.93 0.304 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -53.89 -26.66 26.09 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -81.57 -48.1 12.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.608 0.718 . . . . 0.0 109.605 -169.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.75 -39.13 82.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.266 173.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.53 -37.66 88.17 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.491 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.481 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.5 tt -63.57 -45.8 88.8 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.223 0.535 . . . . 0.0 110.26 -177.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -59.67 -43.4 94.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.782 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 tp -57.99 -39.23 77.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.406 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.7 93.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.464 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.8 m -58.5 -47.08 85.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.133 0.492 . . . . 0.0 110.269 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.68 -41.24 81.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.31 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.15 -45.98 89.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.833 0.349 . . . . 0.0 110.683 -177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mp -59.96 -44.59 94.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.4 mm -61.81 -47.05 95.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.548 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -61.94 -44.48 96.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.599 -174.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 tt -69.82 -36.43 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.996 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 C--N 1.332 -0.162 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.664 178.17 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -59.34 150.73 25.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.798 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.79 -35.0 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.333 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.443 ' C ' HD23 ' A' ' 4' ' ' LEU . 9.4 tt -56.26 -39.39 72.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.742 0.306 . . . . 0.0 110.716 -177.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.01 -37.79 80.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.2 29.79 61.84 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.18 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -134.36 131.05 37.81 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.047 0.424 . . . . 0.0 110.604 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 pt -113.27 156.12 43.55 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.369 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.16 96.89 0.08 OUTLIER 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 121.29 1.326 . . . . 0.0 112.199 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 56.38 82.58 0.24 Allowed Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.509 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.68 148.61 81.6 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.288 1.325 . . . . 0.0 112.061 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -56.09 -58.01 1.24 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 121.249 1.3 . . . . 0.0 111.822 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.7 p -62.84 -15.03 52.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.4 p -81.53 -49.14 10.92 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.612 0.72 . . . . 0.0 109.082 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.34 -41.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.214 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' C ' HD23 ' A' ' 16' ' ' LEU . 9.3 tt -59.36 -39.84 84.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.963 0.411 . . . . 0.0 110.396 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.7 -43.57 96.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.148 0.499 . . . . 0.0 110.359 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -59.29 -42.7 91.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.811 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.57 -39.14 86.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.91 90.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.784 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.5 m -61.85 -47.5 84.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.739 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.6 pt -63.83 -37.94 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.333 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -62.74 -50.24 71.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.526 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.48 -44.44 94.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.74 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 26' ' ' LYS . 8.9 tp -67.29 -45.11 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.429 -0.509 . . . . 0.0 111.616 -175.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' N ' HG23 ' A' ' 25' ' ' ILE . 28.8 mmtp -64.34 -43.01 95.95 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.818 -177.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -69.46 -37.93 76.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.564 -0.455 . . . . 0.0 111.864 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.27 -44.32 92.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.771 0.32 . . . . 0.0 110.829 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.42 87.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.261 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 52.07 23.19 2.13 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -56.7 -39.25 73.5 Favored 'General case' 0 C--N 1.333 -0.118 0 O-C-N 122.187 -0.321 . . . . 0.0 110.686 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.46 96.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.729 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.93 -40.62 89.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.811 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -65.01 -44.21 89.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.328 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.09 91.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.152 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.21 -33.29 72.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.421 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.1 -36.23 70.36 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.091 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -55.18 -37.09 66.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.629 0.252 . . . . 0.0 111.185 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -104.48 140.14 38.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.828 0.347 . . . . 0.0 110.425 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.56 68.99 0.02 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 58.91 43.89 17.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.297 0.57 . . . . 0.0 110.522 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -65.29 153.16 90.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.559 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -81.25 -52.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.439 1.426 . . . . 0.0 112.207 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.99 -175.39 46.64 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 m -122.8 139.93 53.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.797 0.332 . . . . 0.0 110.36 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.0 m170 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.54 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -58.59 -28.12 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.8 tp -56.74 -38.32 72.24 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.85 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.9 tp -58.91 -40.16 83.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 110.651 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.57 -38.93 92.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.944 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.16 67.76 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 121.275 -0.488 . . . . 0.0 111.937 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -117.09 137.69 52.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.139 0.469 . . . . 0.0 110.651 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -112.89 137.79 21.96 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.14 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.511 ' N ' HD13 ' A' ' 8' ' ' ILE . 65.1 Cg_exo -48.9 99.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.217 1.278 . . . . 0.0 112.206 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 56.86 84.98 0.2 Allowed Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.533 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.29 142.43 96.07 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.206 1.271 . . . . 0.0 111.736 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.73 -61.38 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.268 1.312 . . . . 0.0 111.631 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 t -58.86 -16.85 19.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.4 t -80.83 -53.71 6.24 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.531 0.681 . . . . 0.0 109.541 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 tt -63.15 -36.16 74.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.03 174.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.9 tp -63.01 -39.05 93.61 Favored 'General case' 0 C--N 1.334 -0.086 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.389 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.7 tt -64.11 -44.66 91.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.145 0.498 . . . . 0.0 110.237 -176.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.78 -42.5 93.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.927 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.1 tp -58.23 -40.14 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.389 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.67 93.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.675 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.0 m -59.36 -46.93 87.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.107 0.48 . . . . 0.0 110.348 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.49 -43.08 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.113 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.95 -45.37 90.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.437 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.5 mt -57.76 -43.36 85.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.7 mm -62.35 -45.05 99.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.641 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -58.32 -40.24 81.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.975 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.13 -49.32 68.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 tp -59.22 -33.72 71.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.713 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.33 -28.23 0.8 Allowed 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -169.6 -39.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.36 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -54.41 -41.46 69.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 111.416 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.9 75.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.168 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.02 -39.1 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.294 -175.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -67.02 -46.28 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.626 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.92 85.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.443 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.18 83.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.662 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.17 -58.06 3.73 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.262 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -60.51 -40.59 91.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.183 -177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -113.64 135.52 53.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.844 0.354 . . . . 0.0 110.673 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.68 -2.44 86.82 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 121.129 -0.557 . . . . 0.0 113.416 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -111.49 146.63 36.93 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.08 0.94 . . . . 0.0 110.527 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -72.66 153.34 91.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.475 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -86.59 107.39 0.78 Allowed 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.664 1.576 . . . . 0.0 112.255 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.56 -160.03 37.29 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -132.98 157.02 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.349 . . . . 0.0 110.701 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.3 m80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.624 -179.664 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -58.13 -29.44 65.53 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.73 -37.92 83.38 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.647 0.261 . . . . 0.0 111.021 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.446 ' C ' HD23 ' A' ' 4' ' ' LEU . 9.3 tt -59.38 -39.39 83.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.73 0.3 . . . . 0.0 110.639 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -60.05 -33.43 72.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.498 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.93 40.83 9.09 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.55 143.21 48.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.617 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 pt -99.73 156.44 35.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.225 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.76 92.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.261 1.307 . . . . 0.0 111.66 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -61.21 164.79 7.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.807 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -87.42 108.75 0.68 Allowed 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.829 1.686 . . . . 0.0 111.537 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.08 -60.25 0.69 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.308 1.339 . . . . 0.0 112.296 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.5 p -56.67 -19.24 15.43 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 t -81.41 -53.12 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.4 0.619 . . . . 0.0 109.432 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.3 pt -61.97 -32.86 55.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.184 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.81 -37.14 86.61 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.565 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.43 -46.55 88.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.097 0.475 . . . . 0.0 110.011 -177.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 18' ' ' LEU . 6.8 mp -60.81 -42.44 97.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.052 178.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -58.79 -39.5 81.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.57 81.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 110.809 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.5 m -61.71 -51.39 68.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.037 0.446 . . . . 0.0 110.557 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.7 tt -61.86 -35.7 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.315 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 27' ' ' ILE . 49.4 t80 -62.34 -48.17 81.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.005 0.431 . . . . 0.0 110.394 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.68 -42.07 87.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.4 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.34 -43.54 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.965 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.62 -39.21 79.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.411 HD11 ' CE1' ' A' ' 23' ' ' PHE . 73.9 mt -61.77 -48.67 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.972 0.415 . . . . 0.0 110.29 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.23 -42.27 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.883 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.56 87.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.279 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.94 11.47 1.44 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -56.63 -39.14 73.13 Favored 'General case' 0 C--O 1.23 0.066 0 O-C-N 122.048 -0.408 . . . . 0.0 110.687 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.24 94.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.893 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.36 -40.54 91.12 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.76 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -65.77 -45.36 82.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.452 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.31 93.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.38 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.15 75.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.38 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.8 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.298 . . . . 0.0 110.971 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 -66.8 -50.4 62.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.085 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -127.4 148.82 50.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.653 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.99 179.92 53.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -101.83 123.79 46.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.603 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -75.05 152.36 86.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.523 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -88.17 130.06 2.45 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.724 1.616 . . . . 0.0 112.497 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.19 170.7 45.17 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.9 m -127.39 142.4 51.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.489 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.7 m80 . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.474 179.589 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.1 ttp-105 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -59.26 150.24 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.43 -36.88 81.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.99 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.32 -37.2 77.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.062 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.21 -37.51 77.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.679 0.276 . . . . 0.0 110.979 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.06 34.94 40.2 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.709 -0.557 . . . . 0.0 111.709 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -103.25 132.71 49.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.805 0.336 . . . . 0.0 110.351 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.9 mm -113.22 144.65 31.61 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -90.11 81.46 0.56 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.581 1.521 . . . . 0.0 111.771 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -52.1 -55.91 26.72 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 119.049 -0.501 . . . . 0.0 111.407 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -41.46 95.86 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.182 1.921 . . . . 0.0 113.371 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -62.75 -69.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.283 1.322 . . . . 0.0 112.514 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.8 p -61.35 -15.65 38.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 m -81.34 -51.86 7.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.367 0.603 . . . . 0.0 109.401 -172.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.6 tt -64.31 -35.9 75.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.091 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.48 -40.0 92.96 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.277 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.26 -45.21 85.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.175 0.512 . . . . 0.0 110.478 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.82 -42.38 97.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.003 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 19' ' ' LEU . 9.6 tt -59.05 -40.57 85.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.17 71.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.982 0.42 . . . . 0.0 110.697 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.2 m -61.72 -51.15 69.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.636 -174.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.82 -37.64 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.178 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.69 -52.17 66.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.258 0.551 . . . . 0.0 110.404 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.39 -43.39 97.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.582 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.3 pt -67.59 -42.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.522 -0.471 . . . . 0.0 112.065 -173.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -63.75 -39.77 95.09 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.511 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.8 mt -66.9 -45.8 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.039 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.96 -43.66 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.778 -176.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.8 85.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.35 3.62 1.45 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -58.51 -39.99 81.62 Favored 'General case' 0 C--O 1.231 0.116 0 O-C-N 121.894 -0.504 . . . . 0.0 110.734 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.79 87.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.88 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 33' ' ' LEU . 6.4 mp -61.36 -40.22 93.48 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.307 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -65.2 -46.47 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.317 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.91 98.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.385 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.16 81.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.226 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.88 -39.51 93.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.022 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.3 t-105 -59.24 -37.96 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.316 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -106.68 149.37 27.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.939 0.4 . . . . 0.0 110.991 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.76 39.31 14.16 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.15 -36.73 71.08 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.045 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -122.42 160.25 49.01 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.388 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -84.06 -34.23 0.28 Allowed 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.543 1.495 . . . . 0.0 112.085 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.6 33.87 41.46 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.5 p -126.6 162.63 25.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.721 0.296 . . . . 0.0 110.389 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.2 m80 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.531 179.832 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m 58.93 111.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.141 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.538 ' H ' HD12 ' A' ' 3' ' ' LEU . 6.3 mp -61.21 -35.79 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.285 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.09 -37.8 77.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.616 0.246 . . . . 0.0 111.05 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.15 -39.85 93.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.738 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.33 36.92 93.31 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -101.11 126.7 47.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.389 . . . . 0.0 110.837 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.9 pt -113.51 157.44 41.37 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.346 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.3 83.35 0.8 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.261 1.307 . . . . 0.0 111.836 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -66.89 155.37 90.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.45 159.99 12.23 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.334 1.356 . . . . 0.0 111.888 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -50.77 -69.32 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.455 1.436 . . . . 0.0 111.935 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 t -57.56 -17.9 16.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.0 m -81.39 -51.47 8.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.499 0.666 . . . . 0.0 109.554 -171.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.7 tt -65.04 -34.12 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.23 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.74 -39.43 94.27 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.124 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.6 tt -64.33 -45.27 88.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.276 0.56 . . . . 0.0 110.142 -177.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.29 -42.54 95.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.896 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.9 -40.07 79.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.371 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.33 89.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.004 0.43 . . . . 0.0 110.635 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.7 m -60.95 -47.91 84.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.9 -43.12 87.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.166 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.34 -46.27 89.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.977 0.418 . . . . 0.0 110.497 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -59.56 -43.11 93.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.218 -177.19 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.59 -46.97 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.474 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.18 -43.66 98.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.501 -173.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -70.07 -35.63 64.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.662 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 tp -62.52 -40.63 97.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.827 0.346 . . . . 0.0 110.691 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -26.2 65.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.228 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.0 -39.16 68.77 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -57.29 -40.8 78.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 110.412 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.76 98.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.539 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.0 tp -59.98 -40.37 88.93 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.794 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -62.76 -44.18 96.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.28 94.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.51 -29.77 70.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.821 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.84 -32.75 63.89 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -54.32 -35.93 63.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.614 0.245 . . . . 0.0 111.421 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -117.24 141.91 47.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.767 0.318 . . . . 0.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.15 65.09 3.93 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -58.57 -37.33 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.646 0.26 . . . . 0.0 111.075 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.85 68.69 2.01 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -49.7 146.9 14.59 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.333 1.355 . . . . 0.0 112.01 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.46 -165.75 41.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 m -78.68 137.51 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.515 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.0 t60 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.528 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m -57.04 -31.24 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.731 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.19 -40.01 80.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.708 0.29 . . . . 0.0 110.523 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -60.4 -38.64 84.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.477 179.167 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -58.55 -33.6 70.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.301 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 110.19 22.86 6.31 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 121.34 -0.457 . . . . 0.0 113.054 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -118.18 152.65 35.25 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 117.462 0.631 . . . . 0.0 110.4 175.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 tt -95.09 143.2 25.7 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-O 118.865 -0.588 . . . . 0.0 109.752 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -58.13 91.39 0.06 OUTLIER 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 121.215 1.276 . . . . 0.0 111.971 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -122.99 84.41 50.68 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.226 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -43.26 99.08 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.983 1.789 . . . . 0.0 113.339 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.8 -48.35 7.1 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.207 1.271 . . . . 0.0 111.902 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 p -63.54 -22.33 66.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 m -78.53 -50.26 11.89 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.7 mm -59.5 -39.02 78.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.514 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.83 -38.17 78.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.388 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -61.85 -45.58 93.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 110.374 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 18' ' ' LEU . 7.0 mp -59.69 -43.06 94.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.942 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.36 -38.84 85.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.603 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.36 88.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.75 -176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.4 m -60.27 -47.84 84.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 0.0 110.499 -177.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -59.76 -44.43 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.433 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.699 ' CE2' HD11 ' A' ' 27' ' ' ILE . 75.2 t80 -60.85 -49.51 77.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 110.825 -176.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.51 -44.8 96.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.086 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.2 pt -66.98 -37.92 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.703 -175.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -61.13 -40.05 92.35 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.831 -0.347 . . . . 0.0 110.989 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.699 HD11 ' CE2' ' A' ' 23' ' ' PHE . 76.9 mt -65.28 -47.79 85.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.748 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.71 -36.53 81.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.607 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.22 66.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.96 39.79 1.04 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.012 0.434 . . . . 0.0 111.187 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.4 p -57.45 -37.86 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.844 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.9 -46.95 85.43 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.796 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.45 -39.42 87.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.072 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -63.06 -46.67 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.071 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.13 84.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.427 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.48 -34.18 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.844 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.75 -58.05 8.06 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.204 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 99.8 m95 -65.59 -43.9 88.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.153 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -127.26 147.47 50.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.691 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.34 -175.68 50.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -96.27 115.04 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.479 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -132.46 84.13 52.31 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.352 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -80.36 178.63 6.89 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.526 1.484 . . . . 0.0 112.184 -178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.88 -22.84 38.49 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.533 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.1 p -122.18 161.08 23.84 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 117.572 0.686 . . . . 0.0 110.343 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.2 m80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.523 -179.619 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 p -59.33 149.07 29.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.595 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.14 -35.65 79.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.35 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.34 -39.04 78.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.642 0.258 . . . . 0.0 110.791 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -60.01 -41.51 92.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.446 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.43 -38.05 3.23 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -137.99 163.62 31.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 110.714 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.9 mt -76.22 142.77 72.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -80.91 76.84 4.31 Favored 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 121.077 1.185 . . . . 0.0 111.542 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.68 -53.15 0.12 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.821 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -48.34 149.43 6.52 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.263 1.309 . . . . 0.0 112.476 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.66 -63.28 0.14 Allowed 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.321 1.347 . . . . 0.0 112.033 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.7 p -58.73 -17.38 22.51 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.3 t -80.55 -52.31 7.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.58 0.705 . . . . 0.0 109.423 -172.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.6 tt -64.81 -35.05 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.162 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.87 -37.76 88.57 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.726 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.74 -45.13 79.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.971 0.415 . . . . 0.0 110.678 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.68 -42.96 94.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.914 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.22 -40.2 89.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.13 85.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.949 0.404 . . . . 0.0 110.694 -176.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.71 -51.64 66.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.713 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.8 tt -62.52 -35.57 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.565 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -65.71 -52.31 52.37 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.631 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.4 -47.08 86.8 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.311 -175.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 tt -64.83 -36.65 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.455 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -61.1 -43.49 98.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.7 mm -66.32 -47.35 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.87 -40.38 88.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.37 . . . . 0.0 110.979 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.81 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.72 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.94 -43.48 81.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.73 0.3 . . . . 0.0 110.724 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.3 p -58.91 -39.11 80.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.555 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.13 96.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.713 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.96 -39.5 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.028 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -63.84 -45.68 88.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.007 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.08 97.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.825 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.35 70.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.823 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.82 -37.64 68.95 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.062 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -56.7 -37.9 71.55 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.892 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -98.7 153.4 18.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.331 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.87 32.37 4.32 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.184 -0.532 . . . . 0.0 111.972 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -88.26 17.38 5.22 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -125.25 82.92 61.64 Favored Pre-proline 0 CA--C 1.532 0.268 0 O-C-N 122.187 -0.32 . . . . 0.0 110.441 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.38 -167.96 0.57 Allowed 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.485 1.456 . . . . 0.0 112.049 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.81 -56.04 0.32 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -135.36 157.68 46.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.372 . . . . 0.0 110.665 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.9 t60 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.612 179.79 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.0 ttt85 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -57.06 144.36 34.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.061 0.458 . . . . 0.0 111.103 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.8 mt -68.11 -33.62 74.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.545 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.8 tp -56.68 -37.8 71.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.748 0.309 . . . . 0.0 110.997 -176.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.65 -37.45 81.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.914 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.05 32.49 60.54 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.223 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -114.37 139.36 49.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.974 0.387 . . . . 0.0 110.357 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.563 HD13 ' N ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -105.77 128.14 27.06 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-O 118.488 -0.768 . . . . 0.0 109.133 -179.798 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.563 ' N ' HD13 ' A' ' 8' ' ' ILE . 48.6 Cg_endo -69.26 89.56 0.47 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 CA-C-N 120.563 1.237 . . . . 0.0 111.727 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -51.04 -49.07 83.16 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.646 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -93.67 92.11 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.74 1.627 . . . . 0.0 111.908 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -55.97 -64.79 0.12 Allowed 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 121.385 1.39 . . . . 0.0 112.684 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 p -60.91 -20.09 61.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -81.61 -51.46 8.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.527 0.68 . . . . 0.0 109.418 -171.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.2 tp -63.76 -35.12 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.14 174.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.87 -40.14 94.33 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.946 0.403 . . . . 0.0 110.206 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.64 -45.2 87.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.249 0.547 . . . . 0.0 110.38 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.3 -42.89 96.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.992 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -58.74 -40.41 83.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.05 179.278 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.0 -47.72 83.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.598 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.3 m -59.3 -47.39 85.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.045 0.45 . . . . 0.0 110.402 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.9 -43.32 88.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.226 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -60.8 -48.67 80.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.844 0.354 . . . . 0.0 110.801 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.96 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.7 -48.5 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.455 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -60.7 -39.33 88.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.614 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.8 pt -76.13 -32.34 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.969 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.9 tp -62.59 -44.79 95.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.895 0.379 . . . . 0.0 110.22 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.71 79.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.729 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.97 -2.77 41.67 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -53.76 -38.23 64.21 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.872 -0.517 . . . . 0.0 111.184 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.72 -47.07 86.94 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.699 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.2 tp -60.14 -39.35 86.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.024 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -63.68 -45.44 90.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.936 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.35 94.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.706 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.17 82.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.99 -40.07 83.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 111.115 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -59.32 -34.62 72.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.663 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -117.21 161.73 19.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.855 0.36 . . . . 0.0 110.947 -176.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.06 -172.38 40.01 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -70.08 144.5 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.217 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -126.33 79.94 69.65 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.236 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HB2' HG22 ' A' ' 45' ' ' THR . 80.0 Cg_endo -81.8 158.89 18.74 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 121.496 1.464 . . . . 0.0 112.268 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.54 37.12 3.48 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 43' ' ' PRO . 10.7 t -135.18 159.51 41.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.719 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.5 m80 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.497 -179.832 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 m -57.62 147.17 28.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.805 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.523 HD22 ' C ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -66.41 -14.0 61.51 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 179.195 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.26 -37.57 75.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 118.0 0.364 . . . . 0.0 111.05 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.91 -39.45 92.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.811 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.73 32.21 80.66 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 121.204 -0.522 . . . . 0.0 111.998 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -141.71 96.08 2.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.894 0.347 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.4 pt -113.33 155.22 44.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.415 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -87.6 77.15 1.86 Allowed 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.579 1.519 . . . . 0.0 111.764 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -106.43 -55.28 0.07 OUTLIER Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.25 -177.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.32 139.99 53.43 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.117 1.211 . . . . 0.0 112.145 -172.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.42 -46.82 19.23 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.288 1.325 . . . . 0.0 111.587 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 t -60.87 -24.26 65.79 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.6 m -81.32 -51.21 8.61 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.397 0.618 . . . . 0.0 109.412 -171.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 tt -62.27 -36.75 76.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.933 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' C ' HD23 ' A' ' 16' ' ' LEU . 9.2 tt -62.51 -39.57 93.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.259 177.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.72 -44.92 94.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.351 -176.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.57 -42.57 92.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.963 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.86 -40.41 84.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.347 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.53 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.1 m -60.33 -47.86 84.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.401 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.9 mt -58.43 -45.72 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.22 0.533 . . . . 0.0 110.071 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.07 -47.74 84.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.207 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.34 -42.19 81.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.579 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.6 mt -62.01 -44.63 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -58.84 -43.16 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.904 -173.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.8 mp -76.58 -33.33 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.959 178.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.1 tp -56.78 -39.46 74.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 110.82 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.58 -42.69 83.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.316 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.4 -23.12 61.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.315 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -53.57 -36.06 61.47 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 122.081 -0.387 . . . . 0.0 111.465 -175.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.53 -53.28 59.89 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.85 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.38 -38.85 85.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 111.121 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -63.42 -44.76 93.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.242 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.1 98.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.62 85.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.536 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.19 90.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.947 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -56.05 -37.29 69.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.179 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -71.93 153.53 41.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.748 0.309 . . . . 0.0 110.65 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.21 -21.67 42.25 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.725 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -99.01 121.08 40.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.572 0.686 . . . . 0.0 110.531 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -76.07 139.73 69.32 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-O 118.864 -0.589 . . . . 0.0 109.882 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.41 156.7 3.82 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 121.408 1.405 . . . . 0.0 111.651 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.8 -172.74 38.74 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -80.33 162.79 24.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.56 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.7 m80 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.687 -179.786 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.7 mtp-105 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 p -60.39 149.44 33.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.877 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.25 -30.49 71.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.805 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.2 mt -57.6 -32.62 67.37 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -58.84 -43.59 90.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.889 0.376 . . . . 0.0 110.069 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.48 -38.15 2.62 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-N 115.978 -0.555 . . . . 0.0 113.069 174.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -107.03 144.68 33.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.498 0.649 . . . . 0.0 111.39 -174.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.3 tt -108.89 140.67 22.1 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -85.6 85.27 1.16 Allowed 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 121.385 1.39 . . . . 0.0 112.581 -176.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 57.62 89.63 0.1 Allowed Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.462 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.33 143.18 35.06 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.256 1.304 . . . . 0.0 111.671 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.8 -62.05 0.11 Allowed 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.226 1.284 . . . . 0.0 112.196 -174.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 t -57.53 -23.24 49.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m -79.05 -54.24 6.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.388 0.613 . . . . 0.0 109.53 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 tt -61.77 -36.27 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.861 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' C ' HD23 ' A' ' 16' ' ' LEU . 9.5 tt -60.58 -39.18 87.12 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.86 0.362 . . . . 0.0 110.273 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -64.67 -46.89 80.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 0.0 110.195 -175.138 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 18' ' ' LEU . 4.5 mm? -60.26 -43.47 96.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.774 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.69 -38.65 82.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.7 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.21 94.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.926 0.393 . . . . 0.0 110.682 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.3 m -60.75 -47.59 85.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.6 -44.44 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.145 -177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.34 -45.88 91.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.789 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 tp -59.12 -44.0 91.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.628 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.37 -49.06 85.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.09 -44.31 97.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.449 -173.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 tt -70.98 -39.61 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -175.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.01 -38.66 86.36 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.551 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.32 -37.31 77.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.625 -0.262 . . . . 0.0 111.326 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.66 38.5 3.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.027 0.441 . . . . 0.0 110.95 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.0 t -55.56 -39.48 70.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.773 0.321 . . . . 0.0 110.981 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.75 -47.38 85.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.941 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.538 ' H ' HD12 ' A' ' 33' ' ' LEU . 6.3 mp -61.62 -39.85 92.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.274 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -64.39 -43.61 93.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.267 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.32 94.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.009 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.52 97.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.909 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.75 -37.91 89.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.065 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.15 -35.84 67.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.369 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -68.39 134.63 50.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.957 0.408 . . . . 0.0 110.519 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.16 -108.8 0.38 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -99.05 124.9 44.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.271 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -126.26 82.73 65.17 Favored Pre-proline 0 C--O 1.234 0.26 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.418 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.52 112.81 2.77 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.536 1.491 . . . . 0.0 112.172 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.41 179.48 40.91 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.9 m -125.81 141.91 51.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 0.0 110.637 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.435 179.178 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -58.36 -27.7 64.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.08 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.4 mm? -58.77 -35.98 73.65 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 120.497 0.189 . . . . 0.0 111.152 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -58.87 -36.57 74.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.604 0.24 . . . . 0.0 111.208 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.16 -38.35 86.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.651 0.263 . . . . 0.0 110.994 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.92 37.82 74.78 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -108.06 152.1 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.929 0.395 . . . . 0.0 110.804 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.9 mt -113.22 96.9 40.99 Favored Pre-proline 0 CA--C 1.533 0.312 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.77 89.85 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.326 1.351 . . . . 0.0 112.407 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -53.35 -49.74 86.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.363 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -94.9 95.26 0.11 Allowed 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 122.098 1.865 . . . . 0.0 112.758 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.09 -45.74 22.27 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.347 1.364 . . . . 0.0 112.096 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.6 p -62.33 -25.62 67.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.9 p -78.88 -47.09 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.482 0.658 . . . . 0.0 109.458 -172.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.7 pt -65.26 -33.52 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.985 172.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.72 -38.96 83.11 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.834 0.349 . . . . 0.0 110.211 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.5 tp -68.42 -48.91 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.93 0.395 . . . . 0.0 110.758 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.3 -44.97 94.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 0.0 109.924 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.91 -38.23 90.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.606 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.72 85.01 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.222 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.4 p -64.26 -41.55 96.88 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.14 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.85 -47.24 92.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.975 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -61.62 -46.89 87.9 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.847 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.38 -46.28 89.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.689 -173.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.6 pt -68.13 -36.77 76.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.507 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.76 -41.71 95.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.823 0.344 . . . . 0.0 110.793 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.721 HG23 ' HB2' ' A' ' 32' ' ' ALA . 80.2 mt -65.73 -50.98 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.754 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.24 -37.69 88.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.926 -174.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -57.4 -54.83 42.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 173.62 -24.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -52.52 -36.4 55.36 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 122.137 -0.352 . . . . 0.0 111.534 -175.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.721 ' HB2' HG23 ' A' ' 27' ' ' ILE . . . -61.48 -51.9 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 111.035 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.61 -39.13 87.05 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.043 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -65.12 -47.26 77.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 111.339 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.73 94.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.586 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.64 78.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.92 -58.6 3.66 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.482 -175.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.0 t90 -65.84 -46.59 77.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -127.46 167.9 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.334 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.43 -146.87 18.46 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 62.0 103.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 110.391 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 tttt 62.02 72.22 0.66 Allowed Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.332 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.35 128.22 18.92 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 121.314 1.343 . . . . 0.0 111.963 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.87 -36.31 66.04 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -120.54 139.64 52.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.603 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.552 179.622 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m -56.91 -31.22 64.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.779 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.0 tp -56.91 -39.82 75.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.687 0.279 . . . . 0.0 110.772 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.07 -39.01 84.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.78 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.67 -35.2 77.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.317 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.24 1.43 59.4 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.41 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -109.83 146.32 35.25 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.143 0.972 . . . . 0.0 110.376 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.47 ' C ' HD12 ' A' ' 8' ' ' ILE . 2.7 pp -113.49 160.41 31.71 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.505 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -54.11 96.98 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.21 1.273 . . . . 0.0 111.605 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -56.69 151.74 29.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.666 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -57.83 159.56 17.31 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.265 1.31 . . . . 0.0 112.282 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.89 -56.99 1.95 Allowed 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.375 1.383 . . . . 0.0 111.64 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.45 ' HA ' HD12 ' A' ' 16' ' ' LEU . 66.9 p -58.9 -16.73 18.96 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.7 m -81.45 -48.91 11.26 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -174.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.5 mt -58.53 -39.87 76.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.461 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 13' ' ' THR . 90.4 mt -62.85 -36.28 82.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.79 177.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.05 -45.87 91.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.027 0.442 . . . . 0.0 110.381 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.14 -42.64 95.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.891 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.519 HD11 ' HE1' ' A' ' 23' ' ' PHE . 23.4 tp -58.14 -41.67 84.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.167 0.508 . . . . 0.0 110.218 178.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.56 99.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.817 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.1 m -60.15 -44.99 94.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.794 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.13 -52.48 60.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.253 0.549 . . . . 0.0 110.003 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.519 ' HE1' HD11 ' A' ' 19' ' ' LEU . 39.7 m-85 -62.08 -41.47 98.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 -178.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.6 tp -61.21 -44.4 97.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.098 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.8 pt -68.03 -40.82 83.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.658 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.15 -41.18 92.22 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.785 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -71.47 -40.79 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 32' ' ' ALA . 9.9 tp -58.8 -38.88 79.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.336 -175.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.27 -32.94 51.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.908 -176.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.64 -65.6 1.17 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.076 0.465 . . . . 0.0 111.68 -176.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 t -53.7 -43.74 69.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.648 -173.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.618 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -64.27 -41.6 96.84 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.034 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.34 -40.86 83.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.621 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -69.68 -47.96 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.809 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.63 75.93 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.43 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.6 0.238 . . . . 0.0 111.304 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.75 93.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.679 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -60.58 -37.28 80.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.308 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -103.49 -178.27 3.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.779 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.74 -176.55 33.68 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -58.81 -41.53 87.0 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.978 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.9 mptt 52.22 74.81 0.72 Allowed Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.842 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.93 97.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.541 1.494 . . . . 0.0 112.577 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.54 -174.84 44.62 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 m -78.14 137.47 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.345 . . . . 0.0 110.386 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.573 -179.689 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.0 p -58.21 -28.62 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.44 -35.43 77.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.505 0.193 . . . . 0.0 111.468 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.7 mt -58.78 -40.01 82.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.762 0.315 . . . . 0.0 110.78 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.7 mp0 -67.56 -36.56 81.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.173 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.27 36.86 49.47 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -112.24 154.91 24.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.787 0.327 . . . . 0.0 110.54 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.0 pt -110.92 160.58 28.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.387 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -84.56 79.8 2.41 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 121.556 1.504 . . . . 0.0 112.157 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -50.92 -50.01 77.0 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -90.66 108.63 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.08 1.853 . . . . 0.0 111.815 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.16 -50.84 12.61 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 121.344 1.363 . . . . 0.0 112.437 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.0 p -62.29 -24.48 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.0 m -81.42 -49.36 10.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.534 0.683 . . . . 0.0 109.435 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -63.48 -35.23 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.1 174.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.3 tp -62.07 -39.57 92.87 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 120.809 0.338 . . . . 0.0 110.286 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.61 -44.82 92.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.314 0.578 . . . . 0.0 110.246 -177.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.482 ' C ' HD23 ' A' ' 18' ' ' LEU . 9.1 tt -59.5 -42.59 92.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.899 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.3 tp -58.12 -40.3 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.08 99.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.496 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.6 m -59.45 -43.61 93.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.467 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.1 -47.83 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.889 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -59.27 -44.83 92.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.5 tp -59.46 -45.14 92.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.803 -174.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.1 pt -67.95 -42.45 85.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.861 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -61.45 -40.12 93.34 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.186 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.8 mt -66.21 -46.57 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.925 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.05 -42.38 90.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.461 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.54 89.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.55 ' HB1' HD12 ' A' ' 33' ' ' LEU . . . -108.74 40.29 1.83 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.26 0.552 . . . . 0.0 110.589 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 m -54.47 -38.06 65.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.135 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.77 84.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.576 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.55 HD12 ' HB1' ' A' ' 30' ' ' ALA . 82.1 mt -60.59 -37.95 83.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.041 -178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -62.48 -43.84 97.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.029 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.85 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.344 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.54 -35.28 77.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.176 176.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.05 -29.3 69.65 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -52.3 -35.74 51.27 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.493 0.187 . . . . 0.0 111.485 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -105.15 134.8 47.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.8 0.334 . . . . 0.0 110.387 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.62 137.5 3.66 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.03 -38.92 77.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.663 0.268 . . . . 0.0 111.084 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -69.2 151.66 96.95 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.561 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -56.91 164.4 6.21 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.315 1.344 . . . . 0.0 111.878 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.41 -37.5 74.71 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 m -88.28 137.45 32.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.457 179.783 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.6 ttm105 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -58.25 -28.31 64.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.093 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.16 -37.3 79.74 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.634 0.254 . . . . 0.0 111.401 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.29 -39.74 83.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.763 0.316 . . . . 0.0 111.009 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -67.13 -34.84 78.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.545 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.57 -14.44 60.64 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.011 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -98.52 144.01 28.32 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.767 0.783 . . . . 0.0 110.342 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 tp -82.38 140.05 45.04 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -84.6 77.06 3.19 Favored 'Trans proline' 0 N--CA 1.488 1.195 0 C-N-CA 121.218 1.278 . . . . 0.0 111.69 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 58.09 95.32 0.05 OUTLIER Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.468 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -45.76 -44.39 18.03 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.444 1.429 . . . . 0.0 114.372 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -44.1 -68.7 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.406 1.404 . . . . 0.0 113.145 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.523 ' HA ' HD12 ' A' ' 16' ' ' LEU . 7.1 t -59.16 -17.92 31.52 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.1 t -77.96 -54.38 6.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.533 0.682 . . . . 0.0 109.44 -173.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 tp -61.34 -32.71 53.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.231 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 13' ' ' THR . 90.2 mt -62.74 -37.47 86.68 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.43 174.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.62 -46.01 90.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.208 0.527 . . . . 0.0 110.253 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 18' ' ' LEU . 6.9 mp -60.24 -41.92 94.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.04 177.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.84 -40.01 79.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.386 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.73 96.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.746 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.5 m -60.49 -47.19 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 110.525 -177.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.12 -44.01 90.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.114 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.74 -45.61 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.636 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 24' ' ' LEU . 9.2 tt -58.77 -43.6 90.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.5 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.76 -47.69 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.27 -41.05 87.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -175.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 pt -76.18 -31.5 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -63.06 -40.61 98.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.639 0.257 . . . . 0.0 110.442 179.205 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.91 81.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.629 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.18 90.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.047 0.451 . . . . 0.0 110.623 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.3 m -56.52 -38.26 71.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.748 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.75 93.07 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.749 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.08 -40.51 89.79 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.855 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -65.7 -44.94 84.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.385 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.53 93.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.209 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.79 80.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.812 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.21 -41.18 97.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.45 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -96.51 16.3 19.12 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -89.53 135.56 33.53 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.83 0.348 . . . . 0.0 110.461 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.48 -108.1 0.2 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -58.87 -35.93 73.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.445 0.164 . . . . 0.0 111.412 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.88 150.69 67.71 Favored Pre-proline 0 CA--C 1.532 0.253 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.556 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -89.06 92.53 0.36 Allowed 'Trans proline' 0 N--CA 1.489 1.255 0 C-N-CA 121.711 1.607 . . . . 0.0 112.382 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.88 -159.68 38.14 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.3 p -118.89 162.29 18.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.766 0.317 . . . . 0.0 110.498 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.1 m80 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.586 -179.837 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -56.92 -30.48 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.865 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.91 -39.27 71.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 110.873 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 4' ' ' LEU . 6.8 mp -62.37 -37.51 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.061 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.57 -35.47 74.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.27 38.19 15.75 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.53 144.31 37.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.32 . . . . 0.0 110.58 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -72.97 155.4 90.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.151 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -79.85 76.95 4.27 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.236 1.29 . . . . 0.0 112.036 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 58.49 166.01 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.173 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -70.95 151.0 61.87 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.475 1.45 . . . . 0.0 111.967 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.0 -67.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.369 1.379 . . . . 0.0 112.147 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.6 p -59.41 -16.4 22.99 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.5 m -80.35 -47.74 14.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 -173.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.8 pt -67.83 -30.97 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.34 173.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.68 -41.21 98.98 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.997 0.427 . . . . 0.0 110.024 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.23 -44.6 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.122 0.487 . . . . 0.0 110.328 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.4 tp -61.37 -42.11 98.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.11 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.7 tp -58.97 -40.06 83.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.497 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -53.77 40.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.959 0.409 . . . . 0.0 110.759 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 p -64.05 -49.13 73.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 -173.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.545 HD12 ' N ' ' A' ' 23' ' ' PHE . 2.6 pp -62.18 -41.55 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.73 -174.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.545 ' N ' HD12 ' A' ' 22' ' ' ILE . 60.0 t80 -59.24 -48.54 81.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.036 0.445 . . . . 0.0 110.2 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.5 mt -58.08 -43.51 87.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.63 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.23 -47.67 92.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.72 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -59.85 -40.89 90.07 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.54 -174.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -67.93 -47.47 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.364 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.49 -41.0 98.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.658 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -68.2 -54.77 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.325 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 172.79 86.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.033 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 84.6 p -56.31 -37.55 70.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.117 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.12 -57.94 8.91 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.251 -176.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.95 -37.71 80.36 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.326 -175.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 40.4 t-105 -64.82 -47.45 77.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.773 0.321 . . . . 0.0 111.232 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.96 94.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.393 -177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.01 -36.46 77.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.303 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 -40.18 95.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.857 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -61.28 -35.08 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.597 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -101.02 139.59 36.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.983 0.42 . . . . 0.0 111.012 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.76 117.7 0.61 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.3 151.11 30.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.818 0.342 . . . . 0.0 110.638 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -67.51 152.95 95.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.544 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -86.23 108.32 0.89 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 121.642 1.561 . . . . 0.0 112.123 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.76 -38.35 72.7 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.1 p -125.71 161.94 26.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.759 0.314 . . . . 0.0 110.389 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.514 179.761 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -60.62 149.33 35.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.615 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.95 -38.06 84.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.989 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.0 tp -58.87 -35.51 73.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.211 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.32 -36.54 73.53 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.162 -177.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.59 48.89 12.12 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -54.25 143.69 22.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.002 0.429 . . . . 0.0 111.218 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 86.7 mt -109.79 143.4 27.81 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -47.26 97.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 121.433 1.422 . . . . 0.0 112.478 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -80.73 -54.09 0.79 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.983 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -43.37 -47.58 8.93 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.555 1.504 . . . . 0.0 114.765 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.04 -69.17 0.08 OUTLIER 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 120.971 1.114 . . . . 0.0 111.932 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.1 p -64.29 -11.59 33.32 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -81.44 -49.36 10.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.616 0.722 . . . . 0.0 109.188 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.3 mt -62.45 -40.71 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.153 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.67 -40.65 88.5 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.331 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.482 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.6 tt -67.19 -44.8 78.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.246 0.546 . . . . 0.0 110.534 -175.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -60.65 -42.41 96.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.888 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 19' ' ' LEU . 9.1 tt -58.81 -41.63 87.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.161 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.76 91.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.5 m -62.4 -47.91 82.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.34 -44.49 96.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.48 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.48 -49.84 75.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.074 0.464 . . . . 0.0 110.631 -176.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.8 -48.07 83.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 -173.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 tt -65.37 -35.7 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.382 -176.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.49 -43.73 96.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.825 0.345 . . . . 0.0 110.814 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 mm -66.88 -46.71 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.239 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.21 -39.77 87.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.699 0.285 . . . . 0.0 111.186 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.53 -48.24 80.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.102 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 52.49 34.94 16.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 111.53 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -55.46 -38.23 68.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.192 -176.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.76 -52.42 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.998 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.51 -39.37 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.137 -177.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -63.75 -45.06 91.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.355 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.16 87.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.158 -177.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.42 96.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.858 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.0 80.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.409 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -56.37 -44.16 79.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.051 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -127.13 136.69 52.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.831 0.348 . . . . 0.0 110.812 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.42 164.95 29.68 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 54.73 95.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.729 0.3 . . . . 0.0 111.027 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 153.66 22.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.61 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.69 -24.4 11.81 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.368 1.379 . . . . 0.0 112.937 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.68 -35.48 52.38 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.624 -0.591 . . . . 0.0 111.624 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -120.71 139.05 53.62 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.791 0.329 . . . . 0.0 110.331 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.4 m170 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.599 -179.768 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 m -56.76 -30.77 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.847 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt -57.32 -38.31 73.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.619 0.247 . . . . 0.0 110.914 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.471 ' C ' HD23 ' A' ' 4' ' ' LEU . 9.5 tt -59.51 -40.96 88.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.549 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.12 -36.58 82.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.24 34.48 41.0 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 121.162 -0.542 . . . . 0.0 111.926 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -122.04 165.7 15.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.927 0.363 . . . . 0.0 110.696 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.401 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -61.65 158.16 42.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -179.488 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -80.2 76.71 4.39 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.029 1.153 . . . . 0.0 111.788 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.63 165.36 7.55 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.668 176.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.34 103.16 1.49 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.453 1.435 . . . . 0.0 111.901 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -54.67 -69.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 121.361 1.374 . . . . 0.0 112.544 -174.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.2 p -57.54 -18.02 17.02 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -174.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 m -81.6 -50.25 9.56 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.651 0.738 . . . . 0.0 109.273 -172.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.9 mm -60.97 -40.97 87.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.304 173.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.0 -37.36 84.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.806 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.7 tt -64.31 -45.85 86.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.129 0.49 . . . . 0.0 110.246 -176.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.74 -42.98 94.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.858 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.74 -38.29 87.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.87 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.55 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.3 m -61.79 -51.82 66.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 -176.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.0 tp -61.19 -33.47 56.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.577 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -62.82 -52.85 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.643 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.37 -47.16 87.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.009 -175.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.2 mm -62.45 -44.01 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.787 -176.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -59.48 -41.56 90.07 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.033 -175.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.17 -49.09 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.878 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.27 -42.85 99.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.128 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.28 79.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.294 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 50.15 19.44 0.5 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 m -56.63 -38.79 72.59 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 122.225 -0.297 . . . . 0.0 110.81 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.58 81.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.93 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.2 -39.58 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.977 -177.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -63.09 -45.28 92.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.107 -178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.96 99.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.014 -178.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.25 79.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.0 -34.66 78.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.494 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -55.73 -37.96 69.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.46 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -124.24 148.61 47.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.014 0.435 . . . . 0.0 111.077 -177.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.46 -107.87 0.76 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -105.8 145.77 30.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 110.311 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -66.65 150.02 97.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.6 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -91.36 35.53 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.801 1.667 . . . . 0.0 112.182 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.76 179.21 53.47 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.8 m -124.01 140.44 52.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.427 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.5 m80 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.596 179.855 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m 60.99 -84.12 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.126 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.43 -41.41 80.39 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 117.998 0.363 . . . . 0.0 110.525 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.72 -40.08 96.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.725 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.78 -34.94 79.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.481 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.09 41.04 14.73 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -60.76 140.54 57.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.609 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.567 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -113.49 159.51 35.08 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.241 179.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -55.39 97.21 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.324 1.349 . . . . 0.0 112.164 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 56.04 85.17 0.2 Allowed Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -58.24 151.07 62.28 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.337 1.358 . . . . 0.0 111.81 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -53.49 -62.69 0.3 Allowed 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.32 1.347 . . . . 0.0 111.995 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.3 m -52.97 -28.23 22.8 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -77.05 -55.52 5.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.704 . . . . 0.0 109.654 -169.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.9 tt -61.2 -35.6 66.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.988 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.21 -36.12 83.02 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.699 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.11 -47.14 78.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.003 0.43 . . . . 0.0 110.017 -176.525 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 18' ' ' LEU . 6.6 mp -61.39 -42.4 98.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.076 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' C ' HD23 ' A' ' 19' ' ' LEU . 9.1 tt -59.1 -40.54 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.416 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.96 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.96 0.41 . . . . 0.0 110.781 -177.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.6 m -61.78 -48.53 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.3 pt -64.11 -36.56 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.46 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.601 ' CE2' HD11 ' A' ' 27' ' ' ILE . 76.5 t80 -62.95 -50.48 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.192 0.52 . . . . 0.0 110.482 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.3 tp -61.9 -46.79 87.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.964 -174.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.6 tt -65.75 -40.58 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.562 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.37 -39.68 88.1 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.034 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.601 HD11 ' CE2' ' A' ' 23' ' ' PHE . 74.8 mt -66.34 -50.17 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.571 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.08 -31.86 70.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.04 -176.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.66 -31.21 1.82 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.4 -36.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.845 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.0 m -55.04 -39.7 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 111.214 -175.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.31 -47.5 79.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.866 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.32 -39.61 87.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.048 -176.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -65.06 -47.1 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.17 -177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.32 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.028 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.75 -31.54 72.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.769 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.99 84.4 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.794 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -66.44 -46.05 77.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.768 0.318 . . . . 0.0 110.878 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -127.31 125.16 40.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.609 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -159.24 128.66 2.06 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -118.89 153.19 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.426 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -125.33 80.15 65.59 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.43 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -83.23 -51.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 121.564 1.509 . . . . 0.0 112.052 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.66 -175.66 50.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.563 HG22 ' ND1' ' A' ' 46' ' ' HIS . 24.9 m -120.43 138.1 53.96 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.563 ' ND1' HG22 ' A' ' 45' ' ' THR . 67.2 m80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.676 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -56.82 -31.61 64.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.613 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.2 tp -56.96 -39.82 75.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.723 0.297 . . . . 0.0 110.728 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -60.52 -40.78 92.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.298 179.75 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.15 -36.77 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.111 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.27 -37.73 3.33 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.86 142.97 55.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.738 0.304 . . . . 0.0 110.662 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 pt -94.04 153.75 40.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.499 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -83.93 77.24 3.37 Favored 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.45 1.434 . . . . 0.0 112.217 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.06 -55.01 0.08 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -53.86 -47.84 24.97 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.19 1.26 . . . . 0.0 113.781 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.19 -64.46 0.25 Allowed 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.414 1.409 . . . . 0.0 113.112 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -61.72 -19.52 62.5 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.0 t -81.43 -48.94 11.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.674 0.749 . . . . 0.0 109.318 -172.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.39 -39.68 83.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.335 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.61 -39.67 89.02 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.364 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -64.32 -46.48 83.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.309 0.576 . . . . 0.0 110.498 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -59.88 -42.84 94.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.849 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.17 -39.85 79.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.394 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.62 96.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.28 -50.09 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 0.0 110.489 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mm -59.7 -42.02 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.91 -45.39 90.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.143 0.497 . . . . 0.0 110.207 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.16 -42.13 85.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.359 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.27 -43.85 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.927 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -58.56 -39.21 79.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.978 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.8 mt -63.12 -48.56 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.477 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.43 -42.22 95.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.906 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -64.69 -41.29 96.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.783 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . 78.74 -22.43 0.29 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.662 0.785 . . . . 0.0 112.883 179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.3 p -58.79 -37.69 76.88 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 118.149 0.431 . . . . 0.0 110.822 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.18 86.29 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.611 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.82 -39.31 88.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.024 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -62.78 -45.87 90.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.83 0.348 . . . . 0.0 111.018 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.87 95.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HB1' ' OE1' ' A' ' 41' ' ' GLN . . . -63.23 -29.54 70.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.02 178.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.67 -32.74 59.77 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -55.11 -38.41 68.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.666 0.269 . . . . 0.0 111.118 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -113.65 138.17 50.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 110.469 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.99 110.26 2.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.42 ' OE1' ' HB1' ' A' ' 36' ' ' ALA . 63.1 tt0 -108.38 136.73 47.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.372 . . . . 0.0 110.468 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -63.57 153.79 81.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.95 -50.89 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.25 1.3 . . . . 0.0 112.047 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.25 -175.38 43.56 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.7 m -80.13 137.52 36.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.464 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.535 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -58.23 -26.82 63.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.206 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 3' ' ' LEU . 9.7 tt -56.12 -42.48 76.91 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.659 0.266 . . . . 0.0 110.751 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.466 ' C ' HD23 ' A' ' 4' ' ' LEU . 9.2 tt -60.19 -41.86 93.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.344 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.19 -36.15 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.17 29.59 40.66 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.21 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -127.09 156.66 41.37 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 117.073 0.437 . . . . 0.0 110.531 178.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 tp -101.47 140.17 21.02 Favored Pre-proline 0 CA--C 1.534 0.337 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -89.48 77.12 1.12 Allowed 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.552 1.501 . . . . 0.0 112.478 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -80.96 -53.45 0.79 Allowed Pre-proline 0 CA--C 1.535 0.37 0 CA-C-O 118.754 -0.641 . . . . 0.0 112.212 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -48.83 -51.16 10.97 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 120.939 1.093 . . . . 0.0 112.851 -176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -49.27 -63.0 0.34 Allowed 'Trans proline' 0 N--CA 1.497 1.682 0 C-N-CA 121.207 1.271 . . . . 0.0 112.228 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -53.89 -26.66 26.09 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -81.57 -48.1 12.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.608 0.718 . . . . 0.0 109.605 -169.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.75 -39.13 82.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.266 173.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.53 -37.66 88.17 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.491 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.481 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.5 tt -63.57 -45.8 88.8 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.223 0.535 . . . . 0.0 110.26 -177.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -59.67 -43.4 94.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.782 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 tp -57.99 -39.23 77.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.406 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.7 93.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.464 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.8 m -58.5 -47.08 85.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.133 0.492 . . . . 0.0 110.269 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.68 -41.24 81.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.31 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.15 -45.98 89.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.833 0.349 . . . . 0.0 110.683 -177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mp -59.96 -44.59 94.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.4 mm -61.81 -47.05 95.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.548 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -61.94 -44.48 96.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.599 -174.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 tt -69.82 -36.43 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.996 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.57 -42.01 98.36 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.664 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.6 80.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.35 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.42 34.73 0.81 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.862 0.363 . . . . 0.0 111.462 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t -55.73 -38.87 70.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.747 0.308 . . . . 0.0 111.006 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.06 -48.12 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.313 . . . . 0.0 110.835 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.84 -38.78 86.64 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.067 -177.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -62.99 -44.7 95.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.069 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.43 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.728 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.34 80.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.94 -36.58 79.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.613 0.244 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -55.18 -37.05 66.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.151 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -104.76 146.21 29.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.99 -177.62 45.76 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -106.99 146.32 31.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.611 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -136.43 160.51 66.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.313 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.2 -40.5 49.9 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.168 1.245 . . . . 0.0 111.761 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.39 -122.58 25.5 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -119.4 140.73 49.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.782 0.325 . . . . 0.0 110.357 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 63.5 m170 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.599 179.98 . . . . . . . . 0 0 . 1 stop_ save_