data_1fv5_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1fv5 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.768 0.318 . . . . 1.0 110.868 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.62 154.15 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.0 29.87 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.58 102.67 0.59 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.812 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.05 138.51 44.09 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.432 2.088 . . . . 1.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.09 31.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.2 123.01 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -113.28 71.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 ttt -165.1 122.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.7 t -92.85 88.82 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.809 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.5 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -54.33 -45.62 99.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.27 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 32.0 Cg_exo -58.58 -14.47 21.35 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.534 2.156 . . . . 1.0 112.71 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.8 m -114.35 -29.45 6.89 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.99 0.424 . . . . 1.0 110.207 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.08 31.11 29.49 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.835 -0.698 . . . . 1.0 112.63 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 mt -127.84 110.36 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 1.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.07 119.01 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.182 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.451 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 20.0 m-85 -85.01 -163.02 0.77 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.726 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.56 28.4 0.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 1.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.2 138.85 3.84 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.828 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.54 -52.89 2.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.503 2.136 . . . . 1.0 112.289 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -58.48 -31.44 67.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.514 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.451 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 87.4 m -65.93 -38.05 87.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.297 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.23 -44.58 88.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.271 0.557 . . . . 1.0 109.689 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -62.28 -29.4 70.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.0 110.175 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.44 75.7 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.053 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.8 t60 -71.58 -50.35 31.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.395 -0.82 . . . . 1.0 109.486 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -15.47 63.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.456 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.06 -58.7 3.12 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.251 -0.431 . . . . 1.0 112.08 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -142.13 10.7 1.94 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.475 0.546 . . . . 1.0 112.475 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.507 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -102.17 -45.22 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.217 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -75.11 106.45 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.825 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m 45.42 -167.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.272 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -104.95 77.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -79.14 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.6 tt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.194 -0.907 . . . . 1.0 111.023 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.709 0.29 . . . . 1.0 111.102 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.81 173.74 11.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.18 32.34 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.96 126.16 0.83 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -74.1 72.45 4.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.393 2.062 . . . . 1.0 112.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.75 53.55 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.071 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 ttm-85 -152.68 124.08 7.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.79 55.15 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.18 114.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.3 86.18 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -53.93 -45.98 98.73 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.315 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 34.0 Cg_exo -58.12 -14.71 20.15 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.484 2.123 . . . . 1.0 112.668 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 m -114.41 -28.99 7.02 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.982 0.42 . . . . 1.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.51 28.71 46.78 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.884 -0.674 . . . . 1.0 112.557 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.0 mt -125.08 107.03 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 1.0 110.861 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 117.66 24.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.213 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 13.9 m-85 -85.58 -47.94 9.38 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m 58.01 40.55 25.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.311 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -165.23 110.48 0.8 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.987 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.58 170.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.34 2.027 . . . . 1.0 112.142 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 69.38 -64.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.282 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -30.07 55.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.063 0.459 . . . . 1.0 110.01 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.11 -44.69 94.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.377 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.42 -27.41 68.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.147 -0.933 . . . . 1.0 110.057 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.41 90.22 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.966 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.1 t60 -69.07 -50.87 44.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.359 -0.837 . . . . 1.0 109.525 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -67.4 -13.03 61.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.329 -0.85 . . . . 1.0 110.592 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.19 -57.14 4.04 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.284 -0.416 . . . . 1.0 112.082 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -142.18 9.51 1.88 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.601 0.593 . . . . 1.0 112.601 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.538 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -101.61 -46.08 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.083 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.07 87.68 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.781 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.8 -170.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.937 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -110.94 80.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.827 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.8 ttm105 -79.03 127.76 32.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.791 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.275 -0.869 . . . . 1.0 111.045 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.754 0.311 . . . . 1.0 111.088 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.56 -177.6 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.06 -72.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -94.66 139.97 22.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.34 -167.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.482 2.121 . . . . 1.0 112.223 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.01 -70.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.25 177.64 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' MET . 0.1 OUTLIER -118.0 -159.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.655 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.429 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER 74.87 132.61 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.982 0.42 . . . . 1.0 111.279 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 t -94.63 90.15 6.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.573 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -50.35 -49.09 78.97 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.483 -179.642 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 83.9 Cg_endo -82.63 51.64 3.79 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.419 2.079 . . . . 1.0 112.464 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -157.47 -47.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.42 -25.63 9.64 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 121.069 -0.586 . . . . 1.0 112.72 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.4 mt -84.11 157.93 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.745 0.307 . . . . 1.0 111.173 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.8 113.82 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -85.03 -167.9 2.01 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.905 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -154.68 28.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.624 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.21 141.33 4.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.741 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.38 -50.03 1.58 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.494 2.13 . . . . 1.0 112.544 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.7 p -58.27 -35.5 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -61.83 -41.71 98.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.421 . . . . 1.0 110.458 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -56.7 -44.39 81.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.933 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.63 -32.28 65.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.439 -0.8 . . . . 1.0 110.32 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.11 66.6 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.912 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.472 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 72.4 t60 -73.84 -49.78 23.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.295 -0.866 . . . . 1.0 109.322 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.62 -17.49 64.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.177 -0.92 . . . . 1.0 110.274 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.07 -60.96 1.97 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.079 -0.509 . . . . 1.0 112.01 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -143.59 13.52 1.74 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.444 0.535 . . . . 1.0 112.444 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.472 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -103.64 -41.1 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.875 -0.33 . . . . 1.0 111.215 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.2 t -75.05 85.3 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.506 -0.315 . . . . 1.0 110.818 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 t 74.79 171.43 0.28 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -93.7 80.75 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -81.56 145.94 30.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.271 -0.871 . . . . 1.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.759 0.314 . . . . 1.0 110.973 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.14 177.02 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.983 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 64.45 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -72.27 145.08 87.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.84 129.3 32.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.508 2.139 . . . . 1.0 112.228 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.95 -48.51 10.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -133.95 174.41 10.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 5.3 p90 -127.5 76.39 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.696 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.3 ttt -165.31 127.38 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.5 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.58 85.92 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.769 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -55.29 -46.09 99.75 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.2 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 47.3 Cg_exo -56.15 -16.31 16.69 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.352 2.035 . . . . 1.0 112.406 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 m -112.49 -27.29 8.3 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.114 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.08 37.05 38.88 Favored Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 120.825 -0.702 . . . . 1.0 112.464 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.8 mt -137.03 105.97 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 1.0 111.046 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.92 122.4 29.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.539 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.461 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 13.5 m-85 -84.88 -179.99 7.2 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.423 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 t -85.25 -24.74 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 1.0 112.231 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.464 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -151.76 172.38 5.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.796 0.332 . . . . 1.0 111.786 -179.376 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 20' ' ' SER . 58.9 Cg_endo -72.66 -42.04 1.36 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.734 2.29 . . . . 1.0 112.538 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 m -56.04 -37.02 68.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.716 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.9 p -62.28 -36.53 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.147 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.6 mt -59.44 -44.56 92.91 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.937 -0.574 . . . . 1.0 109.544 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.08 -32.24 66.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.306 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.14 -34.25 61.62 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.76 -0.654 . . . . 1.0 109.948 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 65.4 t60 -73.92 -52.07 14.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.285 -0.871 . . . . 1.0 109.3 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -18.98 63.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.197 -0.911 . . . . 1.0 110.233 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.01 -61.02 2.05 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.959 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -140.01 9.13 2.33 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.504 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -101.31 -43.39 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.918 -0.313 . . . . 1.0 111.218 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.17 109.41 8.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.597 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 m 45.42 -168.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.25 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -120.57 63.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -80.35 126.05 30.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.69 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.208 -0.901 . . . . 1.0 111.052 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.707 0.289 . . . . 1.0 110.925 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 48.02 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.432 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.17 -74.15 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.014 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -99.78 143.54 26.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.1 175.95 9.8 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.519 2.146 . . . . 1.0 112.268 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.97 -43.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.4 mtp85 -75.36 125.95 30.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -111.26 68.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.839 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.5 ttm -165.21 124.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.564 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -84.66 86.05 7.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.648 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.58 -46.67 90.82 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.381 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 34.4 Cg_exo -57.66 -15.33 20.27 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.456 2.104 . . . . 1.0 112.661 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.4 m -115.28 -27.62 7.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.961 0.41 . . . . 1.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.84 34.04 39.88 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.911 -0.661 . . . . 1.0 112.541 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.6 mt -130.31 106.37 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.834 0.35 . . . . 1.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.97 120.22 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.616 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 15.1 m-85 -84.97 -174.93 5.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.457 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -28.72 25.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.911 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -162.28 167.03 13.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 1.0 111.61 -179.613 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 20' ' ' SER . 10.6 Cg_endo -54.02 -49.91 15.48 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.852 2.368 . . . . 1.0 112.397 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.15 -31.86 33.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.694 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -39.66 90.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.204 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.0 mt -58.5 -44.42 89.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.685 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -52.35 -34.02 45.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.753 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.05 -33.11 61.69 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.206 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 70.3 t60 -74.66 -53.64 8.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.267 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -19.35 60.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.28 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.91 -58.64 5.11 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.947 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -139.12 3.11 2.16 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.028 0.751 . . . . 1.0 113.028 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.546 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 6.2 m-85 -94.88 -56.07 2.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.661 -0.416 . . . . 1.0 111.063 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.8 103.65 0.23 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 45.48 -170.64 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.508 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -105.27 68.96 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -81.24 131.74 35.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.185 -0.912 . . . . 1.0 111.021 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.772 0.32 . . . . 1.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.91 176.25 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.01 31.39 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.55 147.85 2.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.14 154.92 61.96 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.545 2.163 . . . . 1.0 112.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.43 141.04 7.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.42 125.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.044 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.15 70.39 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.513 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -165.3 132.66 2.97 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.22 86.13 7.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . 4.9 mt -49.92 -49.73 72.56 Favored Pre-proline 0 N--CA 1.463 0.19 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.314 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HD3' ' HB2' ' A' ' 12' ' ' LEU . 2.2 Cg_endo -81.84 51.45 3.83 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.837 2.358 . . . . 1.0 111.855 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -161.02 -42.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.867 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.75 32.12 13.83 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.993 -0.622 . . . . 1.0 112.527 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.2 mt -141.06 98.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.78 0.324 . . . . 1.0 111.33 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.07 122.71 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.403 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 22.5 m-85 -84.75 -88.63 0.11 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.278 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m 174.91 -36.21 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.643 0.258 . . . . 1.0 111.574 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.401 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -139.49 166.13 26.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.681 0.277 . . . . 1.0 111.342 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD2' ' CB ' ' A' ' 20' ' ' SER . 31.7 Cg_endo -64.01 -51.19 2.37 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.688 2.259 . . . . 1.0 112.373 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -39.23 60.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -41.15 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.261 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 mt -58.14 -44.13 87.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.315 0.579 . . . . 1.0 109.841 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.94 -36.34 17.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.292 -0.867 . . . . 1.0 110.612 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.62 -34.42 69.8 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.945 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 67.3 t60 -72.69 -54.36 9.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.356 -0.838 . . . . 1.0 109.251 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -19.87 54.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.26 178.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.08 -60.92 2.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.943 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -136.19 3.84 2.9 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.446 ' CD1' ' HA ' ' A' ' 27' ' ' HIS . 2.8 m-85 -96.34 -51.32 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.938 -0.305 . . . . 1.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.02 80.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.91 175.42 0.24 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -82.49 80.7 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -71.06 147.45 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.5 tt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.226 -0.892 . . . . 1.0 111.067 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.781 0.324 . . . . 1.0 110.951 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.88 -177.31 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 69.76 -64.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -104.55 102.91 36.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.87 179.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.49 2.126 . . . . 1.0 112.295 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.06 38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.063 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -146.13 168.85 19.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -150.33 80.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.927 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.04 122.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 3.5 t -91.46 89.34 7.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 1.0 110.471 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.569 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.4 -48.65 85.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 1.0 112.191 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 29.7 Cg_endo -64.21 -7.63 14.34 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.25 1.967 . . . . 1.0 113.133 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 17.2 m -117.4 -30.5 5.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.992 0.425 . . . . 1.0 110.685 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.71 33.53 42.12 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.807 -0.711 . . . . 1.0 112.532 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.3 108.83 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 1.0 111.005 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.12 115.96 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.175 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.447 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 11.9 m-85 -86.51 142.82 28.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.738 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.61 22.93 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.351 0.5 . . . . 1.0 112.351 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -165.14 143.58 5.28 Favored Pre-proline 0 C--N 1.332 -0.178 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.582 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 20' ' ' SER . 15.1 Cg_exo -68.24 -45.88 2.5 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.783 2.322 . . . . 1.0 112.15 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -32.86 68.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.394 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.427 HG21 ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -64.98 -34.28 78.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.147 179.481 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 6.0 mt -60.86 -44.63 96.74 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.284 0.564 . . . . 1.0 109.557 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -63.53 -29.79 71.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.19 -0.914 . . . . 1.0 110.113 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.29 -35.21 61.33 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.674 -0.693 . . . . 1.0 109.938 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 68.6 t60 -75.06 -50.86 15.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.241 -0.891 . . . . 1.0 109.167 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -19.76 64.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.183 -0.917 . . . . 1.0 110.1 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.05 -62.55 1.37 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.829 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -148.03 19.46 1.12 Allowed 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.199 0.444 . . . . 1.0 112.199 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.425 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -110.18 -28.49 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.026 -0.269 . . . . 1.0 111.326 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.3 t -74.99 -40.09 60.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 1.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.36 158.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -75.39 69.3 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -74.88 152.66 38.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.766 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.191 -0.909 . . . . 1.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.84 0.353 . . . . 1.0 110.85 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.39 -174.59 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.804 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -172.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 77.65 131.88 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.663 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.19 125.54 12.04 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.508 2.138 . . . . 1.0 112.495 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.15 -36.37 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -120.18 177.29 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.43 84.53 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.06 122.46 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.0 85.54 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.571 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -52.16 -49.29 85.45 Favored Pre-proline 0 N--CA 1.463 0.184 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.15 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 12' ' ' LEU . 4.5 Cg_exo -80.47 50.8 3.67 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.847 2.364 . . . . 1.0 112.109 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -157.83 -43.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.001 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.18 29.24 6.47 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 121.054 -0.593 . . . . 1.0 112.383 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mt -139.83 159.54 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.746 0.308 . . . . 1.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.31 113.85 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 7.2 m-85 -84.92 -171.2 3.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.951 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 m -154.82 30.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.11 128.46 1.65 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.041 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.0 -56.04 3.16 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.673 2.249 . . . . 1.0 112.539 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -55.14 -37.29 66.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.91 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -62.79 -39.05 93.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 1.0 110.377 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.0 -44.54 87.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.284 0.564 . . . . 1.0 109.839 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.41 -31.41 65.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.482 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.02 76.42 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.239 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.571 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 83.3 t60 -73.45 -50.93 19.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.632 -0.713 . . . . 1.0 109.231 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.09 -18.08 59.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.387 -0.824 . . . . 1.0 110.132 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.12 -61.45 2.03 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.89 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -145.56 12.28 1.32 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.914 0.709 . . . . 1.0 112.914 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 26.7 m-85 -94.76 -55.83 2.98 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.45 103.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.012 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 45.39 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.344 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -98.09 79.71 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -66.22 160.8 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.5 tt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.21 -0.9 . . . . 1.0 111.047 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.89 0.376 . . . . 1.0 110.977 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.35 96.12 1.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -177.03 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.98 155.62 79.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.813 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.09 95.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.633 2.222 . . . . 1.0 112.031 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.01 -31.17 66.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.308 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -129.54 173.92 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.42 81.86 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.1 ttt -164.27 122.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.785 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 2.5 t -87.58 89.16 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 1.0 110.753 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 3.4 mt -50.66 -48.94 81.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.65 -0.704 . . . . 1.0 112.169 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 39.8 Cg_endo -68.09 -1.23 6.7 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.266 1.977 . . . . 1.0 113.576 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.497 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 5.4 m -119.23 -28.66 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 1.0 110.732 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.8 27.08 57.45 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.775 -0.726 . . . . 1.0 112.613 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.8 mt -125.8 102.55 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 1.0 110.986 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 119.45 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CD2' ' HB ' ' A' ' 23' ' ' THR . 4.3 m-30 -84.95 -162.99 0.76 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.687 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 m -154.48 28.31 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 1.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -164.48 150.32 9.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.564 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.93 -46.0 0.63 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.509 2.139 . . . . 1.0 112.418 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -35.72 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.766 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.416 ' HB ' ' CD2' ' A' ' 18' ' ' PHE . 12.8 p -62.16 -39.14 91.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.426 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 20' ' ' SER . 3.9 mt -57.15 -44.68 83.67 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.328 0.585 . . . . 1.0 109.876 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.13 -28.26 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.374 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . -73.78 -36.08 65.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.229 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.522 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 79.1 t60 -73.84 -50.72 19.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.187 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -19.06 59.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.213 -0.903 . . . . 1.0 110.285 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.02 -61.93 1.86 Allowed 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.552 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -149.37 16.14 0.91 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.643 0.609 . . . . 1.0 112.643 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.522 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 3.5 m-85 -95.06 -45.09 7.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.726 0.298 . . . . 1.0 111.166 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -57.05 87.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.054 -179.688 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 t 45.2 -90.54 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.554 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' CYS . 66.9 m80 -155.0 108.78 2.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.789 0.328 . . . . 1.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -135.05 100.21 4.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.796 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.257 -0.877 . . . . 1.0 111.034 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.829 0.347 . . . . 1.0 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -178.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.33 -74.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 141.39 40.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.798 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -74.45 165.35 31.92 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.455 2.103 . . . . 1.0 112.319 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.31 30.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.35 152.27 30.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 19' ' ' SER . 1.1 p90 -141.88 66.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.4 ttp -165.22 123.82 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 t -84.87 86.26 7.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.742 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -53.84 -45.91 98.68 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.338 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 35.9 Cg_exo -57.75 -14.87 19.02 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.435 2.09 . . . . 1.0 112.61 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.7 m -113.64 -29.18 7.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.045 0.45 . . . . 1.0 110.253 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.09 31.65 42.17 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.797 -0.716 . . . . 1.0 112.586 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.7 mt -130.39 105.4 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.92 115.7 22.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.222 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.448 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 14.2 m-85 -85.28 -48.18 9.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.752 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.416 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 0.6 OUTLIER 69.66 48.21 0.61 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.252 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' SER . 37.8 t -165.14 102.15 0.79 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.209 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -60.87 76.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.687 2.258 . . . . 1.0 112.049 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.2 OUTLIER 175.98 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.266 -0.879 . . . . 1.0 108.692 -179.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -65.76 -28.79 69.29 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.558 -0.904 . . . . 1.0 108.558 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 2.4 mt -62.45 -45.21 94.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.252 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -29.21 70.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.202 -0.908 . . . . 1.0 109.797 178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.43 61.42 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.848 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 70.2 t60 -71.77 -52.96 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.246 -0.888 . . . . 1.0 109.36 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -17.23 62.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.361 -0.836 . . . . 1.0 110.481 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.91 -59.45 2.79 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.98 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -142.7 12.46 1.89 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.471 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -104.89 -39.56 6.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.697 0.284 . . . . 1.0 111.205 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.06 102.53 4.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.805 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.39 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.354 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -100.32 87.46 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.823 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -96.56 134.09 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.807 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.246 -0.883 . . . . 1.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.735 0.303 . . . . 1.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.35 149.3 38.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.91 -76.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 110.99 13.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.78 151.52 68.95 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.453 2.102 . . . . 1.0 112.318 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.71 30.4 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -140.93 172.49 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.414 ' CB ' ' CD1' ' A' ' 24' ' ' LEU . 24.6 p90 -155.1 -171.3 3.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.815 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.7 ttp 75.8 132.41 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.07 89.13 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.558 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.445 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -54.39 -49.36 91.09 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.131 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 84.5 Cg_endo -81.99 53.7 4.7 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.526 2.151 . . . . 1.0 112.278 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.98 -46.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.908 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.03 -24.86 9.15 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.099 -0.572 . . . . 1.0 112.661 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mt -85.12 159.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 1.0 111.08 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.22 112.2 7.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CE1' ' CG2' ' A' ' 23' ' ' THR . 40.3 m-85 -85.1 -170.06 2.95 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.89 28.81 0.42 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.081 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 1.6 t -165.22 148.53 7.16 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -83.95 44.92 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.856 2.371 . . . . 1.0 112.794 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.56 -48.39 0.47 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 1.0 109.596 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -61.56 -30.32 70.58 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 178.598 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' ' 18' ' ' PHE . 3.1 mt -62.45 -44.89 95.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.725 -0.67 . . . . 1.0 109.463 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -31.24 72.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.207 -0.906 . . . . 1.0 109.61 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.58 -34.91 60.7 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.556 -0.747 . . . . 1.0 109.878 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.469 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 72.8 t60 -73.15 -51.13 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.16 -0.927 . . . . 1.0 109.549 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -16.93 64.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.245 178.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.69 -60.17 2.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.847 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -148.15 18.05 1.09 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.455 0.539 . . . . 1.0 112.455 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.469 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.35 -35.44 6.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.868 -0.333 . . . . 1.0 111.196 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -75.15 96.73 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 1.0 110.516 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 m 45.46 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.321 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -86.6 76.62 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.52 111.94 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.0 tt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.207 -0.902 . . . . 1.0 111.085 -179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.718 0.294 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.98 176.38 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 65.33 -77.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -82.54 115.99 61.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.28 -176.12 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.351 2.034 . . . . 1.0 112.209 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.03 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.289 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.93 142.0 44.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.025 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.37 72.7 1.39 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.812 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.0 ttt -149.86 115.4 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.815 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.8 88.4 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -68.87 -44.92 31.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.849 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 70.8 Cg_exo -41.03 -31.84 0.84 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.737 2.292 . . . . 1.0 113.265 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.6 p -117.21 -27.65 6.4 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.927 0.394 . . . . 1.0 110.34 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.87 65.04 1.29 Allowed Glycine 0 N--CA 1.438 -1.178 0 C-N-CA 120.845 -0.693 . . . . 1.0 112.799 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.7 mt -149.65 118.79 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 1.0 111.042 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.62 109.23 20.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.094 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . 8.0 m-85 -85.8 -163.95 0.95 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.692 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -154.43 32.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.239 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -163.1 107.96 1.01 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -46.06 -56.96 2.47 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.679 2.253 . . . . 1.0 112.78 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -56.02 -38.79 71.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.0 m -61.72 -38.6 88.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.401 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.415 ' CD2' ' CB ' ' A' ' 18' ' ' PHE . 2.0 mt -58.74 -44.38 90.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 1.0 109.945 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.57 -30.81 67.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.347 -0.842 . . . . 1.0 110.632 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.36 62.02 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.191 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' TYR . 58.8 t60 -72.6 -48.84 36.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.382 -0.826 . . . . 1.0 109.604 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -33.68 75.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.108 -0.951 . . . . 1.0 110.98 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.7 7.98 21.45 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -153.41 -36.02 0.11 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' HIS . 7.7 m-85 -94.39 -80.65 0.4 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.631 0.253 . . . . 1.0 111.466 -179.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.71 111.95 0.83 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 1.0 111.126 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.82 130.09 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -95.96 63.77 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.759 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -77.41 156.14 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.227 -0.892 . . . . 1.0 111.031 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.749 0.309 . . . . 1.0 110.95 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.94 174.41 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.5 29.33 18.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.019 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.39 139.23 0.42 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.818 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.57 130.59 40.99 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 1.0 112.23 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.6 -61.88 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -136.39 167.83 20.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -102.8 86.49 2.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.09 122.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.781 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 3.8 t -84.94 88.34 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.083 0.468 . . . . 1.0 110.496 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.561 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -50.04 -49.02 77.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.652 -0.704 . . . . 1.0 112.119 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 31.3 Cg_endo -64.93 -6.75 13.36 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.298 1.999 . . . . 1.0 113.143 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 10.9 m -117.91 -28.29 5.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.905 0.383 . . . . 1.0 110.645 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.74 30.37 57.99 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.779 -0.725 . . . . 1.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.1 mt -128.83 111.68 23.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.732 0.301 . . . . 1.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.04 123.24 30.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.603 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.505 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 6.8 m-85 -89.05 -175.05 4.69 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.749 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.39 -26.8 26.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.904 -0.589 . . . . 1.0 112.373 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.533 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -165.04 173.99 3.4 Favored Pre-proline 0 CA--C 1.531 0.221 0 C-N-CA 120.892 -0.323 . . . . 1.0 111.76 -179.225 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.533 ' HD2' ' CB ' ' A' ' 20' ' ' SER . 31.1 Cg_endo -64.1 -48.58 4.8 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.715 2.277 . . . . 1.0 112.689 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.9 m -52.78 -39.41 62.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 p -61.97 -36.71 82.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 1.0 110.2 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.505 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.2 mt -59.73 -44.46 93.75 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.275 0.56 . . . . 1.0 109.497 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.51 -34.31 49.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.275 -0.875 . . . . 1.0 110.544 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.1 -33.23 61.6 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.101 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 65.9 t60 -73.88 -53.38 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.376 -0.829 . . . . 1.0 109.301 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -20.11 62.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.153 178.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.52 -60.63 2.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.834 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -142.72 7.81 1.69 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.585 0.587 . . . . 1.0 112.585 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.527 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -99.64 -39.62 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.048 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.09 70.79 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.783 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.69 161.64 0.25 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -75.14 76.43 2.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -81.21 164.03 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.23 -0.89 . . . . 1.0 111.046 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.791 0.329 . . . . 1.0 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.98 147.57 48.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 60.66 30.56 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.2 101.84 0.49 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.756 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.21 148.92 75.63 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.434 2.089 . . . . 1.0 112.375 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.88 31.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -129.55 166.04 20.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.83 60.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.094 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.2 mtt -160.83 117.65 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -86.47 85.63 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.75 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -52.4 -45.67 95.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.272 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 31.9 Cg_exo -58.59 -13.38 17.21 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.46 2.107 . . . . 1.0 112.65 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 m -115.48 -29.72 6.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.934 0.397 . . . . 1.0 110.17 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.8 -18.72 54.93 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.783 -0.722 . . . . 1.0 112.976 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mt -79.01 127.03 39.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.801 0.334 . . . . 1.0 110.99 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.39 116.64 32.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.109 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.453 ' CE1' ' CG2' ' A' ' 23' ' ' THR . 38.6 m-85 -85.07 -169.09 2.48 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.829 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t -154.78 34.94 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.1 t -165.15 139.35 4.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.986 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.4 50.73 3.63 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.68 2.253 . . . . 1.0 112.767 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -144.6 -49.31 0.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.742 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.453 ' CG2' ' CE1' ' A' ' 18' ' ' PHE . 26.8 m -63.11 -29.99 71.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 3.0 mt -62.57 -44.88 95.21 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.747 -0.66 . . . . 1.0 109.416 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -64.81 -29.97 70.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.236 -0.893 . . . . 1.0 109.724 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.45 -35.17 60.97 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.553 -0.748 . . . . 1.0 109.911 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.485 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 77.9 t60 -74.17 -47.93 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.264 -0.88 . . . . 1.0 109.717 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -13.68 62.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.462 -0.79 . . . . 1.0 110.104 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.17 -59.37 2.76 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.091 -0.504 . . . . 1.0 112.022 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -151.97 20.43 0.68 Allowed 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.485 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -107.04 -41.43 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.957 -0.297 . . . . 1.0 111.187 -179.886 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.0 t -75.06 91.36 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 1.0 110.833 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t 74.81 175.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.796 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -102.11 83.91 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.968 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -102.28 132.87 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.75 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.184 -0.912 . . . . 1.0 111.123 -179.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.887 0.375 . . . . 1.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -173.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 70.44 -64.57 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -97.63 108.41 45.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.17 92.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.423 2.082 . . . . 1.0 112.229 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.51 -48.94 36.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.51 141.93 31.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -124.96 94.7 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.01 123.1 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.818 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 t -86.35 88.05 7.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.795 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 3.4 mt -63.79 -44.95 81.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.87 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 62.9 Cg_exo -40.15 -37.67 1.89 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.791 2.328 . . . . 1.0 113.423 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -115.41 -31.48 5.91 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.985 0.421 . . . . 1.0 110.202 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.98 66.88 1.13 Allowed Glycine 0 N--CA 1.439 -1.126 0 C-N-CA 120.888 -0.672 . . . . 1.0 112.992 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.3 mt -147.29 104.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.738 0.304 . . . . 1.0 110.958 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.94 110.77 19.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.459 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 8.9 m-85 -90.33 144.44 25.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.81 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -85.7 31.0 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.385 . . . . 1.0 112.023 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.17 144.6 5.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.685 0.278 . . . . 1.0 111.458 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -74.6 -45.64 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.668 2.245 . . . . 1.0 112.185 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.8 m -62.02 -32.17 72.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.222 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.402 HG23 ' CD1' ' A' ' 18' ' ' PHE . 7.1 m -65.04 -34.47 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.097 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.2 mt -60.32 -44.68 95.24 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.355 0.598 . . . . 1.0 109.565 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.15 -29.09 69.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.197 -0.91 . . . . 1.0 110.048 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.52 -35.16 60.81 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.087 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.623 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.2 t60 -74.42 -50.38 18.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.259 -0.882 . . . . 1.0 109.451 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.15 -13.4 62.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.572 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.47 -54.8 6.21 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.035 0.383 . . . . 1.0 112.035 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -138.66 7.22 2.52 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.623 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -94.59 -71.83 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.633 -0.427 . . . . 1.0 111.23 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.03 119.19 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 1.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 t 45.35 -167.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.369 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -118.28 86.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -82.8 152.34 25.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.184 -0.912 . . . . 1.0 111.036 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.34 . . . . 1.0 111.014 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.61 141.57 57.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.09 149.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 62.49 129.38 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.971 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.02 153.63 52.38 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.457 2.105 . . . . 1.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.77 28.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.174 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -144.53 166.48 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.433 ' O ' ' CG ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -155.27 57.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.349 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.3 ttt -162.52 121.22 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 t -84.88 86.3 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.605 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.52 -48.6 86.16 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.155 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 4.1 Cg_exo -80.38 50.36 3.52 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.957 2.438 . . . . 1.0 112.181 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.38 -49.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.62 -19.18 12.77 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 121.028 -0.606 . . . . 1.0 112.792 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.412 HD13 ' CE1' ' A' ' 27' ' ' HIS . 15.7 pt -99.59 162.78 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 1.0 111.256 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.76 110.22 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -84.78 126.2 33.22 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.002 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.41 40.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.558 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.22 147.93 6.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.688 0.28 . . . . 1.0 110.753 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.65 -45.94 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.575 2.183 . . . . 1.0 112.592 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -59.07 -37.49 77.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -37.88 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.431 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 9' ' ' PHE . 3.2 mt -57.87 -44.78 86.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.263 0.554 . . . . 1.0 109.826 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -28.12 69.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.094 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 -35.13 61.48 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.168 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.583 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 85.6 t60 -74.47 -50.14 19.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.409 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -17.82 63.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 1.0 110.009 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.82 -61.56 1.89 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.068 -0.514 . . . . 1.0 111.977 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -145.31 12.98 1.39 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.0 0.741 . . . . 1.0 113.0 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.583 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 3.2 m-85 -94.68 -57.51 2.45 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.132 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 84.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.84 -177.4 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -111.33 84.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.97 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.54 179.94 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.253 -0.879 . . . . 1.0 111.078 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.782 0.325 . . . . 1.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.89 179.23 6.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 64.52 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.963 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -82.74 115.04 56.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.04 172.01 14.72 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.447 2.098 . . . . 1.0 112.27 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.95 39.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.84 158.34 44.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -144.59 73.7 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.727 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.4 mtt -165.01 122.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.731 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 t -97.23 92.48 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 3.3 mt -62.4 -44.93 89.35 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.902 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 59.8 Cg_exo -39.83 -39.67 2.24 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.799 2.333 . . . . 1.0 113.471 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.7 p -115.48 -31.29 5.95 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.066 0.46 . . . . 1.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.99 68.83 1.11 Allowed Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.815 -0.707 . . . . 1.0 112.974 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.4 mt -148.63 108.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.322 . . . . 1.0 110.997 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.86 109.72 18.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.234 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.453 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.4 m-85 -88.57 142.26 27.85 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.774 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.85 30.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.939 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.12 147.2 6.6 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-O 120.713 0.292 . . . . 1.0 111.505 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.69 -45.47 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.709 2.273 . . . . 1.0 112.324 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -61.47 -33.89 74.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.229 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.418 HG21 ' CD1' ' A' ' 18' ' ' PHE . 62.0 m -62.96 -34.43 77.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.058 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.1 mt -61.04 -44.6 97.15 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.641 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -30.11 71.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.187 -0.915 . . . . 1.0 110.136 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 -34.92 61.48 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.15 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.677 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 84.3 t60 -75.12 -48.62 22.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.217 -0.901 . . . . 1.0 109.602 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -12.45 61.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.376 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.96 -55.38 5.51 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.306 -0.406 . . . . 1.0 112.017 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -141.67 10.83 2.05 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.875 0.694 . . . . 1.0 112.875 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.677 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -94.53 -72.47 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.636 -0.426 . . . . 1.0 111.146 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 106.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 1.0 110.806 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m 74.68 168.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -102.75 88.32 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.83 166.55 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.243 -0.884 . . . . 1.0 111.01 179.916 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.841 0.353 . . . . 1.0 111.021 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.0 -177.7 4.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.81 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.58 -75.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -97.02 147.1 32.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.43 -168.93 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.53 2.154 . . . . 1.0 112.259 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.69 -44.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -98.55 149.24 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -125.4 92.58 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.1 mtt -163.05 121.17 2.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -89.94 88.67 7.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.817 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.49 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -65.11 -44.91 72.01 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.9 -179.79 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 58.7 Cg_exo -39.71 -37.51 1.47 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.857 2.371 . . . . 1.0 113.328 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.2 p -114.99 -31.05 6.2 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.003 0.43 . . . . 1.0 110.141 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.63 70.81 1.19 Allowed Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.821 -0.704 . . . . 1.0 113.041 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.9 mt -152.82 106.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 1.0 110.905 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 113.71 21.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.051 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.472 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.8 m-85 -88.25 155.23 19.85 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -85.62 14.41 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.367 0.506 . . . . 1.0 112.367 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -165.21 157.83 13.6 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 1.0 111.777 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.1 -43.88 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.94 2.427 . . . . 1.0 112.156 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 m -59.14 -31.69 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.334 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -65.44 -34.8 79.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.133 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.6 mt -60.66 -44.62 96.23 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.554 178.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -30.95 71.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.007 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.55 -34.72 60.75 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.072 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.632 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 79.2 t60 -74.57 -49.46 21.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.478 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -14.47 63.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.25 -0.886 . . . . 1.0 110.436 178.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.87 -54.61 6.97 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.271 -0.422 . . . . 1.0 112.122 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -139.39 7.15 2.36 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.934 0.716 . . . . 1.0 112.934 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.632 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -94.5 -75.68 0.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.183 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.76 119.08 5.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 1.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.0 m 45.26 -168.11 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.406 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -120.56 88.11 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -80.45 136.88 36.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.74 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.205 -0.902 . . . . 1.0 111.097 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.775 0.322 . . . . 1.0 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.2 tp 62.26 122.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.35 -70.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 135.02 72.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.96 151.9 45.65 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.504 2.136 . . . . 1.0 112.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.31 33.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.06 164.6 38.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -155.02 82.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.829 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.15 123.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.36 91.11 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -71.77 -45.05 12.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.81 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 63.6 Cg_exo -40.09 -34.5 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.717 2.278 . . . . 1.0 113.281 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.5 p -115.49 -28.99 6.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.017 0.437 . . . . 1.0 110.242 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.48 67.38 1.28 Allowed Glycine 0 N--CA 1.439 -1.121 0 C-N-CA 120.88 -0.676 . . . . 1.0 112.943 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.462 HD12 HG23 ' A' ' 16' ' ' ILE . 18.8 mt -151.55 107.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 1.0 111.075 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.01 113.25 21.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.059 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.459 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.5 m-85 -92.26 140.89 29.16 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -85.75 29.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.827 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.18 146.82 6.39 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-O 120.751 0.31 . . . . 1.0 111.572 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.36 -45.62 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.793 2.329 . . . . 1.0 112.322 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -61.39 -34.02 74.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.215 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -63.16 -34.66 78.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.063 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.2 mt -60.26 -44.71 95.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.345 0.593 . . . . 1.0 109.655 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -29.76 70.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.206 -0.906 . . . . 1.0 110.092 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.33 -35.42 61.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.724 -0.671 . . . . 1.0 109.834 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.518 ' O ' ' HB2' ' A' ' 31' ' ' TYR . 79.2 t60 -74.34 -49.14 24.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.068 -0.969 . . . . 1.0 109.267 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -14.22 62.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.152 -0.931 . . . . 1.0 110.886 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.19 -46.02 11.47 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.715 0.635 . . . . 1.0 112.715 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -128.48 -8.02 5.19 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.23 0.826 . . . . 1.0 113.23 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 27' ' ' HIS . 5.2 m-85 -94.87 -84.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.661 -0.415 . . . . 1.0 111.363 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 111.05 1.55 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.913 0.387 . . . . 1.0 110.873 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.85 118.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -84.87 57.01 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.11 147.86 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.223 -0.894 . . . . 1.0 111.101 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.71 0.29 . . . . 1.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.38 -178.68 6.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.62 -72.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 152.04 63.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 123.22 9.64 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.566 2.178 . . . . 1.0 112.245 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.48 -53.13 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.096 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -110.85 171.63 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -136.21 98.23 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.05 122.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.792 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -88.98 88.79 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -62.66 -44.81 87.67 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.855 -0.611 . . . . 1.0 111.847 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 57.2 Cg_exo -39.75 -38.03 1.66 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.807 2.338 . . . . 1.0 113.439 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.7 p -115.45 -29.22 6.59 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.927 0.394 . . . . 1.0 110.216 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.13 69.01 1.25 Allowed Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.871 -0.68 . . . . 1.0 112.96 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.5 mt -151.39 107.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 1.0 110.978 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.86 112.67 20.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.214 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 9.5 m-85 -88.21 145.76 25.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -85.64 24.17 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.403 0.52 . . . . 1.0 112.403 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -165.14 147.32 6.64 Favored Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.71 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 20' ' ' SER . 7.7 Cg_exo -72.48 -46.65 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.97 2.447 . . . . 1.0 112.275 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.52 -32.81 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.596 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -35.7 82.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.253 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 4.0 mt -60.03 -44.62 94.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.27 0.557 . . . . 1.0 109.646 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -30.53 71.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.111 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.29 -34.89 61.34 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.119 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.602 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 85.5 t60 -75.01 -49.5 19.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.189 -0.914 . . . . 1.0 109.496 179.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.43 -13.11 62.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.39 -0.823 . . . . 1.0 110.218 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.95 -54.31 7.07 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 112.239 0.459 . . . . 1.0 112.239 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -142.8 9.83 1.77 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.238 0.829 . . . . 1.0 113.238 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.602 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -94.39 -77.91 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.524 -0.47 . . . . 1.0 110.947 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 131.32 50.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 1.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.37 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -115.21 93.64 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -78.29 142.75 37.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.217 -0.897 . . . . 1.0 111.049 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.499 -0.24 . . . . 1.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.09 -78.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 1.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.62 154.15 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.0 29.87 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.58 102.67 0.59 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.812 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.05 138.51 44.09 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.432 2.088 . . . . 1.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.09 31.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.2 123.01 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -113.28 71.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 ttt -165.1 122.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.7 t -92.85 88.82 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.809 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -54.33 -45.62 99.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.27 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 32.0 Cg_exo -58.58 -14.47 21.35 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.534 2.156 . . . . 1.0 112.71 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.8 m -114.35 -29.45 6.89 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.99 0.424 . . . . 1.0 110.207 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.08 31.11 29.49 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.835 -0.698 . . . . 1.0 112.63 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 mt -127.84 110.36 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 1.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.07 119.01 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.182 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.451 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 20.0 m-85 -85.01 -163.02 0.77 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.726 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.56 28.4 0.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 1.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.2 138.85 3.84 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.828 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.54 -52.89 2.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.503 2.136 . . . . 1.0 112.289 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -58.48 -31.44 67.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.514 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.451 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 87.4 m -65.93 -38.05 87.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.297 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.23 -44.58 88.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.271 0.557 . . . . 1.0 109.689 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -62.28 -29.4 70.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.0 110.175 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.44 75.7 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.053 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.8 t60 -71.58 -50.35 31.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.395 -0.82 . . . . 1.0 109.486 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -15.47 63.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.456 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.06 -58.7 3.12 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.251 -0.431 . . . . 1.0 112.08 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -142.13 10.7 1.94 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.475 0.546 . . . . 1.0 112.475 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.507 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -102.17 -45.22 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.217 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -75.11 106.45 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.825 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m 45.42 -167.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.272 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -104.95 77.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -79.14 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.6 tt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.194 -0.907 . . . . 1.0 111.023 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.547 -0.221 . . . . 1.0 112.547 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m 63.12 -79.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.709 0.29 . . . . 1.0 111.102 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.81 173.74 11.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.18 32.34 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.96 126.16 0.83 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -74.1 72.45 4.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.393 2.062 . . . . 1.0 112.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.75 53.55 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.071 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 ttm-85 -152.68 124.08 7.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.79 55.15 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.18 114.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.3 86.18 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -53.93 -45.98 98.73 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.315 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 34.0 Cg_exo -58.12 -14.71 20.15 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.484 2.123 . . . . 1.0 112.668 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 m -114.41 -28.99 7.02 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.982 0.42 . . . . 1.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.51 28.71 46.78 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.884 -0.674 . . . . 1.0 112.557 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.0 mt -125.08 107.03 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 1.0 110.861 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 117.66 24.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.213 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 13.9 m-85 -85.58 -47.94 9.38 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m 58.01 40.55 25.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.311 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -165.23 110.48 0.8 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.987 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.58 170.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.34 2.027 . . . . 1.0 112.142 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 69.38 -64.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.282 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -30.07 55.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.063 0.459 . . . . 1.0 110.01 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.11 -44.69 94.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.377 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.42 -27.41 68.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.147 -0.933 . . . . 1.0 110.057 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.41 90.22 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.966 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.1 t60 -69.07 -50.87 44.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.359 -0.837 . . . . 1.0 109.525 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -67.4 -13.03 61.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.329 -0.85 . . . . 1.0 110.592 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.19 -57.14 4.04 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.284 -0.416 . . . . 1.0 112.082 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -142.18 9.51 1.88 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.601 0.593 . . . . 1.0 112.601 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.538 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -101.61 -46.08 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.083 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.07 87.68 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.781 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.8 -170.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.937 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -110.94 80.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.827 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.8 ttm105 -79.03 127.76 32.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.791 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.275 -0.869 . . . . 1.0 111.045 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.093 0 N-CA-C 112.513 -0.235 . . . . 1.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 m 63.04 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.311 . . . . 1.0 111.088 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.56 -177.6 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.06 -72.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -94.66 139.97 22.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.34 -167.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.482 2.121 . . . . 1.0 112.223 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.01 -70.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.25 177.64 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' MET . 0.1 OUTLIER -118.0 -159.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.655 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.429 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER 74.87 132.61 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.982 0.42 . . . . 1.0 111.279 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 t -94.63 90.15 6.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.573 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -50.35 -49.09 78.97 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.483 -179.642 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 83.9 Cg_endo -82.63 51.64 3.79 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.419 2.079 . . . . 1.0 112.464 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -157.47 -47.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.42 -25.63 9.64 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 121.069 -0.586 . . . . 1.0 112.72 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.4 mt -84.11 157.93 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.745 0.307 . . . . 1.0 111.173 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.8 113.82 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -85.03 -167.9 2.01 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.905 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -154.68 28.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.624 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.21 141.33 4.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.741 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.38 -50.03 1.58 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.494 2.13 . . . . 1.0 112.544 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.7 p -58.27 -35.5 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -61.83 -41.71 98.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.421 . . . . 1.0 110.458 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -56.7 -44.39 81.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.933 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.63 -32.28 65.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.439 -0.8 . . . . 1.0 110.32 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.11 66.6 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.912 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.472 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 72.4 t60 -73.84 -49.78 23.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.295 -0.866 . . . . 1.0 109.322 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.62 -17.49 64.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.177 -0.92 . . . . 1.0 110.274 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.07 -60.96 1.97 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.079 -0.509 . . . . 1.0 112.01 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -143.59 13.52 1.74 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.444 0.535 . . . . 1.0 112.444 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.472 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -103.64 -41.1 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.875 -0.33 . . . . 1.0 111.215 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.2 t -75.05 85.3 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.506 -0.315 . . . . 1.0 110.818 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 t 74.79 171.43 0.28 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -93.7 80.75 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -81.56 145.94 30.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.271 -0.871 . . . . 1.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.526 -0.23 . . . . 1.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.0 -70.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.759 0.314 . . . . 1.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.14 177.02 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.983 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 64.45 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -72.27 145.08 87.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.84 129.3 32.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.508 2.139 . . . . 1.0 112.228 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.95 -48.51 10.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -133.95 174.41 10.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 5.3 p90 -127.5 76.39 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.696 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.3 ttt -165.31 127.38 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.5 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.58 85.92 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.769 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -55.29 -46.09 99.75 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.2 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 47.3 Cg_exo -56.15 -16.31 16.69 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.352 2.035 . . . . 1.0 112.406 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 m -112.49 -27.29 8.3 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.114 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.08 37.05 38.88 Favored Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 120.825 -0.702 . . . . 1.0 112.464 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.8 mt -137.03 105.97 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 1.0 111.046 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.92 122.4 29.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.539 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.461 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 13.5 m-85 -84.88 -179.99 7.2 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.423 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 t -85.25 -24.74 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 1.0 112.231 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.464 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -151.76 172.38 5.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.796 0.332 . . . . 1.0 111.786 -179.376 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 20' ' ' SER . 58.9 Cg_endo -72.66 -42.04 1.36 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.734 2.29 . . . . 1.0 112.538 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 m -56.04 -37.02 68.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.716 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.9 p -62.28 -36.53 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.147 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.6 mt -59.44 -44.56 92.91 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.937 -0.574 . . . . 1.0 109.544 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.08 -32.24 66.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.306 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.14 -34.25 61.62 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.76 -0.654 . . . . 1.0 109.948 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 65.4 t60 -73.92 -52.07 14.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.285 -0.871 . . . . 1.0 109.3 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -18.98 63.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.197 -0.911 . . . . 1.0 110.233 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.01 -61.02 2.05 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.959 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -140.01 9.13 2.33 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.504 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -101.31 -43.39 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.918 -0.313 . . . . 1.0 111.218 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.17 109.41 8.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.597 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 m 45.42 -168.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.25 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -120.57 63.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -80.35 126.05 30.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.69 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.208 -0.901 . . . . 1.0 111.052 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.546 -0.222 . . . . 1.0 112.546 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 59.92 95.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.707 0.289 . . . . 1.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 48.02 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.432 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.17 -74.15 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.014 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -99.78 143.54 26.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.1 175.95 9.8 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.519 2.146 . . . . 1.0 112.268 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.97 -43.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.4 mtp85 -75.36 125.95 30.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -111.26 68.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.839 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.5 ttm -165.21 124.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.564 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -84.66 86.05 7.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.648 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.58 -46.67 90.82 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.381 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 34.4 Cg_exo -57.66 -15.33 20.27 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.456 2.104 . . . . 1.0 112.661 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.4 m -115.28 -27.62 7.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.961 0.41 . . . . 1.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.84 34.04 39.88 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.911 -0.661 . . . . 1.0 112.541 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.6 mt -130.31 106.37 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.834 0.35 . . . . 1.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.97 120.22 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.616 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 15.1 m-85 -84.97 -174.93 5.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.457 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -28.72 25.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.911 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -162.28 167.03 13.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 1.0 111.61 -179.613 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 20' ' ' SER . 10.6 Cg_endo -54.02 -49.91 15.48 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.852 2.368 . . . . 1.0 112.397 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.15 -31.86 33.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.694 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -39.66 90.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.204 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.0 mt -58.5 -44.42 89.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.685 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -52.35 -34.02 45.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.753 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.05 -33.11 61.69 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.206 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 70.3 t60 -74.66 -53.64 8.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.267 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -19.35 60.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.28 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.91 -58.64 5.11 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.947 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -139.12 3.11 2.16 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.028 0.751 . . . . 1.0 113.028 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.546 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 6.2 m-85 -94.88 -56.07 2.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.661 -0.416 . . . . 1.0 111.063 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.8 103.65 0.23 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 45.48 -170.64 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.508 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -105.27 68.96 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -81.24 131.74 35.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.185 -0.912 . . . . 1.0 111.021 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.435 -0.266 . . . . 1.0 112.435 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 60.64 170.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 1.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.91 176.25 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.01 31.39 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.55 147.85 2.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.14 154.92 61.96 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.545 2.163 . . . . 1.0 112.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.43 141.04 7.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.42 125.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.044 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.15 70.39 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.513 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -165.3 132.66 2.97 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.22 86.13 7.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . 4.9 mt -49.92 -49.73 72.56 Favored Pre-proline 0 N--CA 1.463 0.19 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.314 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HD3' ' HB2' ' A' ' 12' ' ' LEU . 2.2 Cg_endo -81.84 51.45 3.83 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.837 2.358 . . . . 1.0 111.855 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -161.02 -42.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.867 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.75 32.12 13.83 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.993 -0.622 . . . . 1.0 112.527 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.2 mt -141.06 98.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.78 0.324 . . . . 1.0 111.33 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.07 122.71 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.403 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 22.5 m-85 -84.75 -88.63 0.11 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.278 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m 174.91 -36.21 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.643 0.258 . . . . 1.0 111.574 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.401 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -139.49 166.13 26.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.681 0.277 . . . . 1.0 111.342 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD2' ' CB ' ' A' ' 20' ' ' SER . 31.7 Cg_endo -64.01 -51.19 2.37 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.688 2.259 . . . . 1.0 112.373 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -39.23 60.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -41.15 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.261 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 mt -58.14 -44.13 87.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.315 0.579 . . . . 1.0 109.841 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.94 -36.34 17.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.292 -0.867 . . . . 1.0 110.612 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.62 -34.42 69.8 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.945 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 67.3 t60 -72.69 -54.36 9.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.356 -0.838 . . . . 1.0 109.251 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -19.87 54.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.26 178.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.08 -60.92 2.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.943 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -136.19 3.84 2.9 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.446 ' CD1' ' HA ' ' A' ' 27' ' ' HIS . 2.8 m-85 -96.34 -51.32 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.938 -0.305 . . . . 1.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.02 80.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.91 175.42 0.24 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -82.49 80.7 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -71.06 147.45 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.5 tt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.226 -0.892 . . . . 1.0 111.067 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.51 -0.236 . . . . 1.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 63.86 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 1.0 110.951 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.88 -177.31 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 69.76 -64.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -104.55 102.91 36.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.87 179.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.49 2.126 . . . . 1.0 112.295 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.06 38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.063 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -146.13 168.85 19.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -150.33 80.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.927 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.04 122.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 3.5 t -91.46 89.34 7.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 1.0 110.471 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.569 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.4 -48.65 85.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 1.0 112.191 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 29.7 Cg_endo -64.21 -7.63 14.34 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.25 1.967 . . . . 1.0 113.133 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 17.2 m -117.4 -30.5 5.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.992 0.425 . . . . 1.0 110.685 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.71 33.53 42.12 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.807 -0.711 . . . . 1.0 112.532 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.3 108.83 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 1.0 111.005 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.12 115.96 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.175 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.447 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 11.9 m-85 -86.51 142.82 28.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.738 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.61 22.93 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.351 0.5 . . . . 1.0 112.351 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -165.14 143.58 5.28 Favored Pre-proline 0 C--N 1.332 -0.178 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.582 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 20' ' ' SER . 15.1 Cg_exo -68.24 -45.88 2.5 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.783 2.322 . . . . 1.0 112.15 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -32.86 68.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.394 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.427 HG21 ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -64.98 -34.28 78.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.147 179.481 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 6.0 mt -60.86 -44.63 96.74 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.284 0.564 . . . . 1.0 109.557 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -63.53 -29.79 71.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.19 -0.914 . . . . 1.0 110.113 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.29 -35.21 61.33 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.674 -0.693 . . . . 1.0 109.938 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 68.6 t60 -75.06 -50.86 15.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.241 -0.891 . . . . 1.0 109.167 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -19.76 64.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.183 -0.917 . . . . 1.0 110.1 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.05 -62.55 1.37 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.829 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -148.03 19.46 1.12 Allowed 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.199 0.444 . . . . 1.0 112.199 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -110.18 -28.49 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.026 -0.269 . . . . 1.0 111.326 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.3 t -74.99 -40.09 60.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 1.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.36 158.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -75.39 69.3 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -74.88 152.66 38.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.766 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.191 -0.909 . . . . 1.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.561 -0.216 . . . . 1.0 112.561 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.11 -50.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 1.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.39 -174.59 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.804 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -172.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 77.65 131.88 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.663 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.19 125.54 12.04 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.508 2.138 . . . . 1.0 112.495 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.15 -36.37 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -120.18 177.29 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.43 84.53 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.06 122.46 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.0 85.54 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.571 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -52.16 -49.29 85.45 Favored Pre-proline 0 N--CA 1.463 0.184 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.15 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 12' ' ' LEU . 4.5 Cg_exo -80.47 50.8 3.67 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.847 2.364 . . . . 1.0 112.109 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -157.83 -43.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.001 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.18 29.24 6.47 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 121.054 -0.593 . . . . 1.0 112.383 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mt -139.83 159.54 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.746 0.308 . . . . 1.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.31 113.85 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 7.2 m-85 -84.92 -171.2 3.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.951 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 m -154.82 30.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.11 128.46 1.65 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.041 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.0 -56.04 3.16 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.673 2.249 . . . . 1.0 112.539 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -55.14 -37.29 66.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.91 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -62.79 -39.05 93.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 1.0 110.377 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.0 -44.54 87.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.284 0.564 . . . . 1.0 109.839 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.41 -31.41 65.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.482 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.02 76.42 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.239 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.571 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 83.3 t60 -73.45 -50.93 19.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.632 -0.713 . . . . 1.0 109.231 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.09 -18.08 59.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.387 -0.824 . . . . 1.0 110.132 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.12 -61.45 2.03 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.89 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -145.56 12.28 1.32 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.914 0.709 . . . . 1.0 112.914 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 26.7 m-85 -94.76 -55.83 2.98 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.45 103.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.012 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 45.39 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.344 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -98.09 79.71 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -66.22 160.8 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.5 tt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.21 -0.9 . . . . 1.0 111.047 179.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.464 -0.254 . . . . 1.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.46 -54.48 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 1.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.35 96.12 1.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -177.03 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.98 155.62 79.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.813 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.09 95.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.633 2.222 . . . . 1.0 112.031 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.01 -31.17 66.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.308 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -129.54 173.92 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.42 81.86 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.1 ttt -164.27 122.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.785 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 2.5 t -87.58 89.16 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 1.0 110.753 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 3.4 mt -50.66 -48.94 81.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.65 -0.704 . . . . 1.0 112.169 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 39.8 Cg_endo -68.09 -1.23 6.7 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.266 1.977 . . . . 1.0 113.576 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.497 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 5.4 m -119.23 -28.66 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 1.0 110.732 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.8 27.08 57.45 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.775 -0.726 . . . . 1.0 112.613 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.8 mt -125.8 102.55 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 1.0 110.986 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 119.45 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CD2' ' HB ' ' A' ' 23' ' ' THR . 4.3 m-30 -84.95 -162.99 0.76 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.687 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 m -154.48 28.31 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 1.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -164.48 150.32 9.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.564 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.93 -46.0 0.63 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.509 2.139 . . . . 1.0 112.418 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -35.72 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.766 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.416 ' HB ' ' CD2' ' A' ' 18' ' ' PHE . 12.8 p -62.16 -39.14 91.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.426 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 20' ' ' SER . 3.9 mt -57.15 -44.68 83.67 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.328 0.585 . . . . 1.0 109.876 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.13 -28.26 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.374 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . -73.78 -36.08 65.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.229 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.522 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 79.1 t60 -73.84 -50.72 19.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.187 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -19.06 59.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.213 -0.903 . . . . 1.0 110.285 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.02 -61.93 1.86 Allowed 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.552 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -149.37 16.14 0.91 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.643 0.609 . . . . 1.0 112.643 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.522 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 3.5 m-85 -95.06 -45.09 7.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.726 0.298 . . . . 1.0 111.166 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -57.05 87.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.054 -179.688 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 t 45.2 -90.54 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.554 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' CYS . 66.9 m80 -155.0 108.78 2.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.789 0.328 . . . . 1.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -135.05 100.21 4.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.796 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.257 -0.877 . . . . 1.0 111.034 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.505 -0.238 . . . . 1.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m 60.15 -171.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 1.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -178.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.33 -74.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 141.39 40.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.798 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -74.45 165.35 31.92 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.455 2.103 . . . . 1.0 112.319 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.31 30.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.35 152.27 30.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 19' ' ' SER . 1.1 p90 -141.88 66.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.4 ttp -165.22 123.82 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 t -84.87 86.26 7.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.742 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -53.84 -45.91 98.68 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.338 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 35.9 Cg_exo -57.75 -14.87 19.02 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.435 2.09 . . . . 1.0 112.61 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.7 m -113.64 -29.18 7.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.045 0.45 . . . . 1.0 110.253 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.09 31.65 42.17 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.797 -0.716 . . . . 1.0 112.586 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.7 mt -130.39 105.4 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.92 115.7 22.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.222 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.448 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 14.2 m-85 -85.28 -48.18 9.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.752 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.416 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 0.6 OUTLIER 69.66 48.21 0.61 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.252 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' SER . 37.8 t -165.14 102.15 0.79 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.209 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -60.87 76.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.687 2.258 . . . . 1.0 112.049 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.2 OUTLIER 175.98 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.266 -0.879 . . . . 1.0 108.692 -179.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -65.76 -28.79 69.29 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.558 -0.904 . . . . 1.0 108.558 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 2.4 mt -62.45 -45.21 94.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.252 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -29.21 70.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.202 -0.908 . . . . 1.0 109.797 178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.43 61.42 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.848 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 70.2 t60 -71.77 -52.96 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.246 -0.888 . . . . 1.0 109.36 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -17.23 62.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.361 -0.836 . . . . 1.0 110.481 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.91 -59.45 2.79 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.98 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -142.7 12.46 1.89 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.471 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -104.89 -39.56 6.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.697 0.284 . . . . 1.0 111.205 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.06 102.53 4.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.805 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.39 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.354 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -100.32 87.46 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.823 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -96.56 134.09 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.807 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.246 -0.883 . . . . 1.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.519 -0.232 . . . . 1.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m 63.09 -79.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.735 0.303 . . . . 1.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.35 149.3 38.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.91 -76.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 110.99 13.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.78 151.52 68.95 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.453 2.102 . . . . 1.0 112.318 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.71 30.4 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -140.93 172.49 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.414 ' CB ' ' CD1' ' A' ' 24' ' ' LEU . 24.6 p90 -155.1 -171.3 3.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.815 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.7 ttp 75.8 132.41 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.07 89.13 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.558 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -54.39 -49.36 91.09 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.131 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 84.5 Cg_endo -81.99 53.7 4.7 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.526 2.151 . . . . 1.0 112.278 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.98 -46.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.908 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.03 -24.86 9.15 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.099 -0.572 . . . . 1.0 112.661 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mt -85.12 159.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 1.0 111.08 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.22 112.2 7.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CE1' ' CG2' ' A' ' 23' ' ' THR . 40.3 m-85 -85.1 -170.06 2.95 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.89 28.81 0.42 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.081 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 1.6 t -165.22 148.53 7.16 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -83.95 44.92 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.856 2.371 . . . . 1.0 112.794 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.56 -48.39 0.47 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 1.0 109.596 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -61.56 -30.32 70.58 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 178.598 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' ' 18' ' ' PHE . 3.1 mt -62.45 -44.89 95.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.725 -0.67 . . . . 1.0 109.463 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -31.24 72.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.207 -0.906 . . . . 1.0 109.61 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.58 -34.91 60.7 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.556 -0.747 . . . . 1.0 109.878 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.469 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 72.8 t60 -73.15 -51.13 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.16 -0.927 . . . . 1.0 109.549 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -16.93 64.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.245 178.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.69 -60.17 2.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.847 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -148.15 18.05 1.09 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.455 0.539 . . . . 1.0 112.455 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.469 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.35 -35.44 6.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.868 -0.333 . . . . 1.0 111.196 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -75.15 96.73 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 1.0 110.516 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 m 45.46 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.321 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -86.6 76.62 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.52 111.94 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.0 tt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.207 -0.902 . . . . 1.0 111.085 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.542 -0.223 . . . . 1.0 112.542 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.37 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.718 0.294 . . . . 1.0 111.015 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.98 176.38 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 65.33 -77.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -82.54 115.99 61.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.28 -176.12 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.351 2.034 . . . . 1.0 112.209 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.03 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.289 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.93 142.0 44.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.025 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.37 72.7 1.39 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.812 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.0 ttt -149.86 115.4 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.815 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.8 88.4 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -68.87 -44.92 31.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.849 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 70.8 Cg_exo -41.03 -31.84 0.84 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.737 2.292 . . . . 1.0 113.265 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.6 p -117.21 -27.65 6.4 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.927 0.394 . . . . 1.0 110.34 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.87 65.04 1.29 Allowed Glycine 0 N--CA 1.438 -1.178 0 C-N-CA 120.845 -0.693 . . . . 1.0 112.799 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.7 mt -149.65 118.79 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 1.0 111.042 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.62 109.23 20.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.094 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . 8.0 m-85 -85.8 -163.95 0.95 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.692 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -154.43 32.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.239 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -163.1 107.96 1.01 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -46.06 -56.96 2.47 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.679 2.253 . . . . 1.0 112.78 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -56.02 -38.79 71.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.0 m -61.72 -38.6 88.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.401 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.415 ' CD2' ' CB ' ' A' ' 18' ' ' PHE . 2.0 mt -58.74 -44.38 90.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 1.0 109.945 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.57 -30.81 67.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.347 -0.842 . . . . 1.0 110.632 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.36 62.02 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.191 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' TYR . 58.8 t60 -72.6 -48.84 36.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.382 -0.826 . . . . 1.0 109.604 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -33.68 75.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.108 -0.951 . . . . 1.0 110.98 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.7 7.98 21.45 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -153.41 -36.02 0.11 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' HIS . 7.7 m-85 -94.39 -80.65 0.4 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.631 0.253 . . . . 1.0 111.466 -179.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.71 111.95 0.83 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 1.0 111.126 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.82 130.09 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -95.96 63.77 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.759 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -77.41 156.14 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.227 -0.892 . . . . 1.0 111.031 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.454 -0.259 . . . . 1.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.58 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.749 0.309 . . . . 1.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.94 174.41 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.5 29.33 18.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.019 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.39 139.23 0.42 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.818 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.57 130.59 40.99 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 1.0 112.23 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.6 -61.88 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -136.39 167.83 20.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -102.8 86.49 2.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.09 122.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.781 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 3.8 t -84.94 88.34 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.083 0.468 . . . . 1.0 110.496 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.561 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -50.04 -49.02 77.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.652 -0.704 . . . . 1.0 112.119 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 31.3 Cg_endo -64.93 -6.75 13.36 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.298 1.999 . . . . 1.0 113.143 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 10.9 m -117.91 -28.29 5.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.905 0.383 . . . . 1.0 110.645 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.74 30.37 57.99 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.779 -0.725 . . . . 1.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.1 mt -128.83 111.68 23.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.732 0.301 . . . . 1.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.04 123.24 30.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.603 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.505 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 6.8 m-85 -89.05 -175.05 4.69 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.749 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.39 -26.8 26.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.904 -0.589 . . . . 1.0 112.373 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.533 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -165.04 173.99 3.4 Favored Pre-proline 0 CA--C 1.531 0.221 0 C-N-CA 120.892 -0.323 . . . . 1.0 111.76 -179.225 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.533 ' HD2' ' CB ' ' A' ' 20' ' ' SER . 31.1 Cg_endo -64.1 -48.58 4.8 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.715 2.277 . . . . 1.0 112.689 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.9 m -52.78 -39.41 62.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 p -61.97 -36.71 82.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 1.0 110.2 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.505 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.2 mt -59.73 -44.46 93.75 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.275 0.56 . . . . 1.0 109.497 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.51 -34.31 49.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.275 -0.875 . . . . 1.0 110.544 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.1 -33.23 61.6 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.101 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 65.9 t60 -73.88 -53.38 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.376 -0.829 . . . . 1.0 109.301 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -20.11 62.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.153 178.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.52 -60.63 2.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.834 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -142.72 7.81 1.69 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.585 0.587 . . . . 1.0 112.585 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.527 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -99.64 -39.62 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.048 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.09 70.79 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.783 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.69 161.64 0.25 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -75.14 76.43 2.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -81.21 164.03 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.23 -0.89 . . . . 1.0 111.046 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.489 -0.244 . . . . 1.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -164.62 -63.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 1.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.98 147.57 48.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 60.66 30.56 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.2 101.84 0.49 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.756 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.21 148.92 75.63 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.434 2.089 . . . . 1.0 112.375 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.88 31.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -129.55 166.04 20.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.83 60.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.094 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.2 mtt -160.83 117.65 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -86.47 85.63 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.75 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -52.4 -45.67 95.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.272 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 31.9 Cg_exo -58.59 -13.38 17.21 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.46 2.107 . . . . 1.0 112.65 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 m -115.48 -29.72 6.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.934 0.397 . . . . 1.0 110.17 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.8 -18.72 54.93 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.783 -0.722 . . . . 1.0 112.976 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mt -79.01 127.03 39.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.801 0.334 . . . . 1.0 110.99 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.39 116.64 32.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.109 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.453 ' CE1' ' CG2' ' A' ' 23' ' ' THR . 38.6 m-85 -85.07 -169.09 2.48 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.829 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t -154.78 34.94 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.1 t -165.15 139.35 4.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.986 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.4 50.73 3.63 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.68 2.253 . . . . 1.0 112.767 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -144.6 -49.31 0.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.742 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.453 ' CG2' ' CE1' ' A' ' 18' ' ' PHE . 26.8 m -63.11 -29.99 71.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 3.0 mt -62.57 -44.88 95.21 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.747 -0.66 . . . . 1.0 109.416 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -64.81 -29.97 70.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.236 -0.893 . . . . 1.0 109.724 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.45 -35.17 60.97 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.553 -0.748 . . . . 1.0 109.911 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.485 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 77.9 t60 -74.17 -47.93 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.264 -0.88 . . . . 1.0 109.717 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -13.68 62.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.462 -0.79 . . . . 1.0 110.104 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.17 -59.37 2.76 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.091 -0.504 . . . . 1.0 112.022 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -151.97 20.43 0.68 Allowed 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.485 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -107.04 -41.43 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.957 -0.297 . . . . 1.0 111.187 -179.886 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.0 t -75.06 91.36 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 1.0 110.833 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t 74.81 175.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.796 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -102.11 83.91 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.968 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -102.28 132.87 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.75 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.184 -0.912 . . . . 1.0 111.123 -179.908 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.48 -0.248 . . . . 1.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.88 -175.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 1.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -173.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 70.44 -64.57 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -97.63 108.41 45.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.17 92.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.423 2.082 . . . . 1.0 112.229 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.51 -48.94 36.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.51 141.93 31.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -124.96 94.7 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.01 123.1 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.818 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 t -86.35 88.05 7.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.795 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 3.4 mt -63.79 -44.95 81.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.87 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 62.9 Cg_exo -40.15 -37.67 1.89 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.791 2.328 . . . . 1.0 113.423 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -115.41 -31.48 5.91 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.985 0.421 . . . . 1.0 110.202 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.98 66.88 1.13 Allowed Glycine 0 N--CA 1.439 -1.126 0 C-N-CA 120.888 -0.672 . . . . 1.0 112.992 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.3 mt -147.29 104.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.738 0.304 . . . . 1.0 110.958 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.94 110.77 19.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.459 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 8.9 m-85 -90.33 144.44 25.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.81 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -85.7 31.0 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.385 . . . . 1.0 112.023 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.17 144.6 5.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.685 0.278 . . . . 1.0 111.458 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -74.6 -45.64 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.668 2.245 . . . . 1.0 112.185 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.8 m -62.02 -32.17 72.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.222 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.402 HG23 ' CD1' ' A' ' 18' ' ' PHE . 7.1 m -65.04 -34.47 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.097 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.2 mt -60.32 -44.68 95.24 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.355 0.598 . . . . 1.0 109.565 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.15 -29.09 69.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.197 -0.91 . . . . 1.0 110.048 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.52 -35.16 60.81 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.087 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.623 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.2 t60 -74.42 -50.38 18.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.259 -0.882 . . . . 1.0 109.451 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.15 -13.4 62.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.572 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.47 -54.8 6.21 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.035 0.383 . . . . 1.0 112.035 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -138.66 7.22 2.52 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.623 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -94.59 -71.83 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.633 -0.427 . . . . 1.0 111.23 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.03 119.19 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 1.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 t 45.35 -167.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.369 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -118.28 86.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -82.8 152.34 25.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.184 -0.912 . . . . 1.0 111.036 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.483 -0.247 . . . . 1.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.35 -78.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 1.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.61 141.57 57.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.09 149.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 62.49 129.38 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.971 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.02 153.63 52.38 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.457 2.105 . . . . 1.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.77 28.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.174 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -144.53 166.48 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.433 ' O ' ' CG ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -155.27 57.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.349 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.3 ttt -162.52 121.22 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 t -84.88 86.3 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.605 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.52 -48.6 86.16 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.155 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 4.1 Cg_exo -80.38 50.36 3.52 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.957 2.438 . . . . 1.0 112.181 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.38 -49.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.62 -19.18 12.77 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 121.028 -0.606 . . . . 1.0 112.792 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.412 HD13 ' CE1' ' A' ' 27' ' ' HIS . 15.7 pt -99.59 162.78 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 1.0 111.256 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.76 110.22 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -84.78 126.2 33.22 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.002 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.41 40.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.558 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.22 147.93 6.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.688 0.28 . . . . 1.0 110.753 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.65 -45.94 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.575 2.183 . . . . 1.0 112.592 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -59.07 -37.49 77.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -37.88 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.431 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 9' ' ' PHE . 3.2 mt -57.87 -44.78 86.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.263 0.554 . . . . 1.0 109.826 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -28.12 69.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.094 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 -35.13 61.48 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.168 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.583 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 85.6 t60 -74.47 -50.14 19.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.409 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -17.82 63.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 1.0 110.009 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.82 -61.56 1.89 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.068 -0.514 . . . . 1.0 111.977 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -145.31 12.98 1.39 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.0 0.741 . . . . 1.0 113.0 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.583 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 3.2 m-85 -94.68 -57.51 2.45 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.132 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 84.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.84 -177.4 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -111.33 84.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.97 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.54 179.94 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.253 -0.879 . . . . 1.0 111.078 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.479 -0.249 . . . . 1.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m 63.7 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.782 0.325 . . . . 1.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.89 179.23 6.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 64.52 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.963 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -82.74 115.04 56.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.04 172.01 14.72 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.447 2.098 . . . . 1.0 112.27 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.95 39.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.84 158.34 44.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -144.59 73.7 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.727 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.4 mtt -165.01 122.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.731 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 t -97.23 92.48 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 3.3 mt -62.4 -44.93 89.35 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.902 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 59.8 Cg_exo -39.83 -39.67 2.24 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.799 2.333 . . . . 1.0 113.471 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.7 p -115.48 -31.29 5.95 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.066 0.46 . . . . 1.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.99 68.83 1.11 Allowed Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.815 -0.707 . . . . 1.0 112.974 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.4 mt -148.63 108.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.322 . . . . 1.0 110.997 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.86 109.72 18.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.234 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.453 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.4 m-85 -88.57 142.26 27.85 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.774 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.85 30.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.939 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.12 147.2 6.6 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-O 120.713 0.292 . . . . 1.0 111.505 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.69 -45.47 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.709 2.273 . . . . 1.0 112.324 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -61.47 -33.89 74.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.229 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.418 HG21 ' CD1' ' A' ' 18' ' ' PHE . 62.0 m -62.96 -34.43 77.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.058 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.1 mt -61.04 -44.6 97.15 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.641 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -30.11 71.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.187 -0.915 . . . . 1.0 110.136 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 -34.92 61.48 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.15 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.677 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 84.3 t60 -75.12 -48.62 22.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.217 -0.901 . . . . 1.0 109.602 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -12.45 61.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.376 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.96 -55.38 5.51 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.306 -0.406 . . . . 1.0 112.017 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -141.67 10.83 2.05 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.875 0.694 . . . . 1.0 112.875 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.677 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -94.53 -72.47 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.636 -0.426 . . . . 1.0 111.146 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 106.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 1.0 110.806 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m 74.68 168.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -102.75 88.32 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.83 166.55 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.243 -0.884 . . . . 1.0 111.01 179.916 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.44 -0.264 . . . . 1.0 112.44 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.54 -70.81 0.11 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.841 0.353 . . . . 1.0 111.021 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.0 -177.7 4.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.81 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.58 -75.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -97.02 147.1 32.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.43 -168.93 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.53 2.154 . . . . 1.0 112.259 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.69 -44.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -98.55 149.24 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -125.4 92.58 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.1 mtt -163.05 121.17 2.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -89.94 88.67 7.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.817 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.49 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -65.11 -44.91 72.01 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.9 -179.79 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 58.7 Cg_exo -39.71 -37.51 1.47 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.857 2.371 . . . . 1.0 113.328 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.2 p -114.99 -31.05 6.2 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.003 0.43 . . . . 1.0 110.141 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.63 70.81 1.19 Allowed Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.821 -0.704 . . . . 1.0 113.041 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.9 mt -152.82 106.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 1.0 110.905 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 113.71 21.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.051 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.472 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.8 m-85 -88.25 155.23 19.85 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -85.62 14.41 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.367 0.506 . . . . 1.0 112.367 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -165.21 157.83 13.6 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 1.0 111.777 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.1 -43.88 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.94 2.427 . . . . 1.0 112.156 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 m -59.14 -31.69 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.334 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -65.44 -34.8 79.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.133 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.6 mt -60.66 -44.62 96.23 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.554 178.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -30.95 71.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.007 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.55 -34.72 60.75 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.072 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.632 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 79.2 t60 -74.57 -49.46 21.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.478 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -14.47 63.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.25 -0.886 . . . . 1.0 110.436 178.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.87 -54.61 6.97 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.271 -0.422 . . . . 1.0 112.122 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -139.39 7.15 2.36 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.934 0.716 . . . . 1.0 112.934 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.632 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -94.5 -75.68 0.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.183 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.76 119.08 5.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 1.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.0 m 45.26 -168.11 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.406 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -120.56 88.11 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -80.45 136.88 36.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.74 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.205 -0.902 . . . . 1.0 111.097 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.464 -0.254 . . . . 1.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t -173.63 144.18 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.322 . . . . 1.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.2 tp 62.26 122.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.35 -70.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 135.02 72.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.96 151.9 45.65 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.504 2.136 . . . . 1.0 112.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.31 33.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.06 164.6 38.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -155.02 82.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.829 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.15 123.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.36 91.11 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -71.77 -45.05 12.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.81 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 63.6 Cg_exo -40.09 -34.5 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.717 2.278 . . . . 1.0 113.281 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.5 p -115.49 -28.99 6.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.017 0.437 . . . . 1.0 110.242 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.48 67.38 1.28 Allowed Glycine 0 N--CA 1.439 -1.121 0 C-N-CA 120.88 -0.676 . . . . 1.0 112.943 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.462 HD12 HG23 ' A' ' 16' ' ' ILE . 18.8 mt -151.55 107.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 1.0 111.075 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.01 113.25 21.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.059 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.459 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.5 m-85 -92.26 140.89 29.16 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -85.75 29.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.827 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.18 146.82 6.39 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-O 120.751 0.31 . . . . 1.0 111.572 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.36 -45.62 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.793 2.329 . . . . 1.0 112.322 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -61.39 -34.02 74.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.215 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -63.16 -34.66 78.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.063 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.2 mt -60.26 -44.71 95.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.345 0.593 . . . . 1.0 109.655 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -29.76 70.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.206 -0.906 . . . . 1.0 110.092 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.33 -35.42 61.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.724 -0.671 . . . . 1.0 109.834 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.518 ' O ' ' HB2' ' A' ' 31' ' ' TYR . 79.2 t60 -74.34 -49.14 24.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.068 -0.969 . . . . 1.0 109.267 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -14.22 62.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.152 -0.931 . . . . 1.0 110.886 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.19 -46.02 11.47 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.715 0.635 . . . . 1.0 112.715 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -128.48 -8.02 5.19 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.23 0.826 . . . . 1.0 113.23 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 27' ' ' HIS . 5.2 m-85 -94.87 -84.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.661 -0.415 . . . . 1.0 111.363 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 111.05 1.55 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.913 0.387 . . . . 1.0 110.873 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.85 118.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -84.87 57.01 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.11 147.86 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.223 -0.894 . . . . 1.0 111.101 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.104 0 N-CA-C 112.5 -0.24 . . . . 1.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m 62.88 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.71 0.29 . . . . 1.0 110.967 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.38 -178.68 6.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.62 -72.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 152.04 63.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 123.22 9.64 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.566 2.178 . . . . 1.0 112.245 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.48 -53.13 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.096 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -110.85 171.63 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -136.21 98.23 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.05 122.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.792 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -88.98 88.79 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -62.66 -44.81 87.67 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.855 -0.611 . . . . 1.0 111.847 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 57.2 Cg_exo -39.75 -38.03 1.66 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.807 2.338 . . . . 1.0 113.439 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.7 p -115.45 -29.22 6.59 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.927 0.394 . . . . 1.0 110.216 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.13 69.01 1.25 Allowed Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.871 -0.68 . . . . 1.0 112.96 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.5 mt -151.39 107.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 1.0 110.978 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.86 112.67 20.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.214 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 9.5 m-85 -88.21 145.76 25.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -85.64 24.17 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.403 0.52 . . . . 1.0 112.403 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -165.14 147.32 6.64 Favored Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.71 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 20' ' ' SER . 7.7 Cg_exo -72.48 -46.65 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.97 2.447 . . . . 1.0 112.275 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.52 -32.81 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.596 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -35.7 82.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.253 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 4.0 mt -60.03 -44.62 94.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.27 0.557 . . . . 1.0 109.646 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -30.53 71.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.111 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.29 -34.89 61.34 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.119 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.602 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 85.5 t60 -75.01 -49.5 19.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.189 -0.914 . . . . 1.0 109.496 179.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.43 -13.11 62.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.39 -0.823 . . . . 1.0 110.218 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.95 -54.31 7.07 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 112.239 0.459 . . . . 1.0 112.239 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -142.8 9.83 1.77 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.238 0.829 . . . . 1.0 113.238 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -94.39 -77.91 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.524 -0.47 . . . . 1.0 110.947 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 131.32 50.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 1.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.37 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -115.21 93.64 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -78.29 142.75 37.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.217 -0.897 . . . . 1.0 111.049 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.822 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.768 0.318 . . . . 1.0 110.868 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.822 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -138.62 154.15 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.907 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.0 29.87 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.58 102.67 0.59 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.812 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.05 138.51 44.09 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.432 2.088 . . . . 1.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.09 31.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.2 123.01 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.461 ' CB ' HD21 ' A' ' 24' ' ' LEU . 6.0 p90 -113.28 71.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.451 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 5.0 ttt -165.1 122.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.7 t -92.85 88.82 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.809 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.5 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -54.33 -45.62 99.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.27 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 32.0 Cg_exo -58.58 -14.47 21.35 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.534 2.156 . . . . 1.0 112.71 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.8 m -114.35 -29.45 6.89 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.99 0.424 . . . . 1.0 110.207 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.08 31.11 29.49 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.835 -0.698 . . . . 1.0 112.63 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 mt -127.84 110.36 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 1.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -89.07 119.01 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' HG22 ' A' ' 23' ' ' THR . 20.0 m-85 -85.01 -163.02 0.77 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.726 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.56 28.4 0.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 1.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.2 138.85 3.84 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.828 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 28.1 Cg_endo -62.54 -52.89 2.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.503 2.136 . . . . 1.0 112.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -58.48 -31.44 67.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.514 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' CD1' ' A' ' 18' ' ' PHE . 87.4 m -65.93 -38.05 87.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.297 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 9' ' ' PHE . 3.6 mt -58.23 -44.58 88.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.271 0.557 . . . . 1.0 109.689 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 2.7 tm-20 -62.28 -29.4 70.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.0 110.175 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.44 75.7 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.053 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.8 t60 -71.58 -50.35 31.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.395 -0.82 . . . . 1.0 109.486 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -15.47 63.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.456 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -73.06 -58.7 3.12 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.251 -0.431 . . . . 1.0 112.08 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -142.13 10.7 1.94 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.475 0.546 . . . . 1.0 112.475 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.546 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -102.17 -45.22 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.217 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -75.11 106.45 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.825 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m 45.42 -167.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.272 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -104.95 77.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -79.14 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.6 tt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.194 -0.907 . . . . 1.0 111.023 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.485 ' HB3' HD23 ' A' ' 3' ' ' LEU . 58.5 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.709 0.29 . . . . 1.0 111.102 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.485 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -138.81 173.74 11.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.922 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.18 32.34 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.96 126.16 0.83 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -74.1 72.45 4.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.393 2.062 . . . . 1.0 112.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.75 53.55 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.071 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 ttm-85 -152.68 124.08 7.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.79 55.15 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.423 ' HG3' ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -163.18 114.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.3 86.18 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -53.93 -45.98 98.73 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.315 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 34.0 Cg_exo -58.12 -14.71 20.15 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.484 2.123 . . . . 1.0 112.668 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 m -114.41 -28.99 7.02 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.982 0.42 . . . . 1.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.51 28.71 46.78 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.884 -0.674 . . . . 1.0 112.557 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.0 mt -125.08 107.03 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 1.0 110.861 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.423 ' CB ' ' HG3' ' A' ' 10' ' ' MET . . . -84.9 117.66 24.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.213 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 13.9 m-85 -85.58 -47.94 9.38 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m 58.01 40.55 25.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.311 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.527 ' H ' HD21 ' A' ' 24' ' ' LEU . 3.1 m -165.23 110.48 0.8 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.987 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.58 170.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.34 2.027 . . . . 1.0 112.142 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 69.38 -64.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.282 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -30.07 55.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.063 0.459 . . . . 1.0 110.01 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.527 HD21 ' H ' ' A' ' 20' ' ' SER . 6.6 mt -63.11 -44.69 94.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.377 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 4.0 tt0 -65.42 -27.41 68.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.147 -0.933 . . . . 1.0 110.057 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.41 90.22 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.966 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.575 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.1 t60 -69.07 -50.87 44.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.359 -0.837 . . . . 1.0 109.525 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -67.4 -13.03 61.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.329 -0.85 . . . . 1.0 110.592 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -76.19 -57.14 4.04 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.284 -0.416 . . . . 1.0 112.082 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -142.18 9.51 1.88 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.601 0.593 . . . . 1.0 112.601 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.575 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -101.61 -46.08 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.083 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.07 87.68 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.781 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.8 -170.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.937 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -110.94 80.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.827 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.8 ttm105 -79.03 127.76 32.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.791 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.275 -0.869 . . . . 1.0 111.045 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.584 ' HB3' HD23 ' A' ' 3' ' ' LEU . 60.1 m . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.754 0.311 . . . . 1.0 111.088 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -135.56 -177.6 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.86 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER 68.06 -72.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.945 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -94.66 139.97 22.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.34 -167.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.482 2.121 . . . . 1.0 112.223 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.01 -70.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.25 177.64 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.721 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -118.0 -159.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.655 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.444 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER 74.87 132.61 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.982 0.42 . . . . 1.0 111.279 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 t -94.63 90.15 6.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.573 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -50.35 -49.09 78.97 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.483 -179.642 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' A' ' 12' ' ' LEU . 83.9 Cg_endo -82.63 51.64 3.79 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.419 2.079 . . . . 1.0 112.464 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -157.47 -47.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.42 -25.63 9.64 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 121.069 -0.586 . . . . 1.0 112.72 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 17' ' ' ALA . 4.4 mt -84.11 157.93 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.745 0.307 . . . . 1.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' HG22 ' A' ' 16' ' ' ILE . . . -130.8 113.82 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.448 ' CE1' HG22 ' A' ' 23' ' ' THR . 33.6 m-85 -85.03 -167.9 2.01 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.905 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -154.68 28.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.624 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.21 141.33 4.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.741 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.38 -50.03 1.58 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.494 2.13 . . . . 1.0 112.544 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.7 p -58.27 -35.5 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.448 HG22 ' CE1' ' A' ' 18' ' ' PHE . 1.3 m -61.83 -41.71 98.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.421 . . . . 1.0 110.458 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' A' ' 9' ' ' PHE . 2.7 mt -56.7 -44.39 81.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.933 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -56.63 -32.28 65.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.439 -0.8 . . . . 1.0 110.32 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.11 66.6 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.912 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 72.4 t60 -73.84 -49.78 23.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.295 -0.866 . . . . 1.0 109.322 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.62 -17.49 64.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.177 -0.92 . . . . 1.0 110.274 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -70.07 -60.96 1.97 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.079 -0.509 . . . . 1.0 112.01 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -143.59 13.52 1.74 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.444 0.535 . . . . 1.0 112.444 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.507 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -103.64 -41.1 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.875 -0.33 . . . . 1.0 111.215 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.2 t -75.05 85.3 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.506 -0.315 . . . . 1.0 110.818 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 t 74.79 171.43 0.28 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -93.7 80.75 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -81.56 145.94 30.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.271 -0.871 . . . . 1.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.779 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.759 0.314 . . . . 1.0 110.973 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -135.14 177.02 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.983 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.523 HD23 HD12 ' A' ' 3' ' ' LEU . 2.0 mm? 64.45 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.982 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -72.27 145.08 87.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.84 129.3 32.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.508 2.139 . . . . 1.0 112.228 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.95 -48.51 10.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -133.95 174.41 10.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.468 ' CB ' HD11 ' A' ' 24' ' ' LEU . 5.3 p90 -127.5 76.39 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.696 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.477 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 18.3 ttt -165.31 127.38 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.5 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.58 85.92 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.769 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -55.29 -46.09 99.75 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.2 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 47.3 Cg_exo -56.15 -16.31 16.69 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.352 2.035 . . . . 1.0 112.406 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 m -112.49 -27.29 8.3 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.114 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.08 37.05 38.88 Favored Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 120.825 -0.702 . . . . 1.0 112.464 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.8 mt -137.03 105.97 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 1.0 111.046 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.477 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -84.92 122.4 29.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.539 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 13.5 m-85 -84.88 -179.99 7.2 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.423 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 t -85.25 -24.74 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 1.0 112.231 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.478 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -151.76 172.38 5.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.796 0.332 . . . . 1.0 111.786 -179.376 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 58.9 Cg_endo -72.66 -42.04 1.36 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.734 2.29 . . . . 1.0 112.538 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 m -56.04 -37.02 68.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.716 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.9 p -62.28 -36.53 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.147 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.508 ' HG ' ' HA ' ' A' ' 21' ' ' PRO . 5.6 mt -59.44 -44.56 92.91 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.937 -0.574 . . . . 1.0 109.544 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 9.6 tt0 -57.08 -32.24 66.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.306 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.14 -34.25 61.62 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.76 -0.654 . . . . 1.0 109.948 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 65.4 t60 -73.92 -52.07 14.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.285 -0.871 . . . . 1.0 109.3 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -18.98 63.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.197 -0.911 . . . . 1.0 110.233 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -68.01 -61.02 2.05 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.959 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -140.01 9.13 2.33 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.545 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -101.31 -43.39 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.918 -0.313 . . . . 1.0 111.218 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.17 109.41 8.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.597 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 m 45.42 -168.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.25 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -120.57 63.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -80.35 126.05 30.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.69 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.208 -0.901 . . . . 1.0 111.052 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.614 ' C ' HD23 ' A' ' 3' ' ' LEU . 1.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.707 0.289 . . . . 1.0 110.925 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.614 HD23 ' C ' ' A' ' 2' ' ' SER . 0.6 OUTLIER 48.02 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.432 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER 65.17 -74.15 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.014 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -99.78 143.54 26.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.1 175.95 9.8 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.519 2.146 . . . . 1.0 112.268 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.97 -43.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.4 mtp85 -75.36 125.95 30.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.85 ' HA ' HD11 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -111.26 68.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.839 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.559 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 35.5 ttm -165.21 124.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.564 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -84.66 86.05 7.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.648 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.58 -46.67 90.82 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.381 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 34.4 Cg_exo -57.66 -15.33 20.27 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.456 2.104 . . . . 1.0 112.661 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.4 m -115.28 -27.62 7.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.961 0.41 . . . . 1.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.84 34.04 39.88 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.911 -0.661 . . . . 1.0 112.541 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.6 mt -130.31 106.37 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.834 0.35 . . . . 1.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.559 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -84.97 120.22 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.616 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 15.1 m-85 -84.97 -174.93 5.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.457 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -28.72 25.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.911 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.453 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -162.28 167.03 13.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 1.0 111.61 -179.613 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 10.6 Cg_endo -54.02 -49.91 15.48 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.852 2.368 . . . . 1.0 112.397 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.15 -31.86 33.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.694 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -39.66 90.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.204 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.85 HD11 ' HA ' ' A' ' 9' ' ' PHE . 5.0 mt -58.5 -44.42 89.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.685 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 8.9 tt0 -52.35 -34.02 45.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.753 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.05 -33.11 61.69 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.206 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.573 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 70.3 t60 -74.66 -53.64 8.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.267 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -19.35 60.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.28 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -65.91 -58.64 5.11 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.947 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -139.12 3.11 2.16 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.028 0.751 . . . . 1.0 113.028 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.573 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 6.2 m-85 -94.88 -56.07 2.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.661 -0.416 . . . . 1.0 111.063 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.8 103.65 0.23 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 45.48 -170.64 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.508 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -105.27 68.96 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -81.24 131.74 35.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.185 -0.912 . . . . 1.0 111.021 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.772 0.32 . . . . 1.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.559 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -67.91 176.25 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.865 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.01 31.39 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.55 147.85 2.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.14 154.92 61.96 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.545 2.163 . . . . 1.0 112.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.43 141.04 7.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.42 125.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.044 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.844 ' HA ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -106.15 70.39 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.513 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.669 ' SD ' HD23 ' A' ' 12' ' ' LEU . 1.6 tmt? -165.3 132.66 2.97 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.22 86.13 7.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.669 HD23 ' SD ' ' A' ' 10' ' ' MET . 4.9 mt -49.92 -49.73 72.56 Favored Pre-proline 0 N--CA 1.463 0.19 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.314 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 2.2 Cg_endo -81.84 51.45 3.83 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.837 2.358 . . . . 1.0 111.855 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -161.02 -42.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.867 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.75 32.12 13.83 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.993 -0.622 . . . . 1.0 112.527 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.2 mt -141.06 98.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.78 0.324 . . . . 1.0 111.33 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -85.07 122.71 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.403 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 22.5 m-85 -84.75 -88.63 0.11 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.278 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m 174.91 -36.21 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.643 0.258 . . . . 1.0 111.574 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.408 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -139.49 166.13 26.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.681 0.277 . . . . 1.0 111.342 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 31.7 Cg_endo -64.01 -51.19 2.37 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.688 2.259 . . . . 1.0 112.373 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -39.23 60.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -41.15 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.261 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.844 HD11 ' HA ' ' A' ' 9' ' ' PHE . 2.8 mt -58.14 -44.13 87.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.315 0.579 . . . . 1.0 109.841 178.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.94 -36.34 17.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.292 -0.867 . . . . 1.0 110.612 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.62 -34.42 69.8 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.945 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 67.3 t60 -72.69 -54.36 9.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.356 -0.838 . . . . 1.0 109.251 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -19.87 54.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.26 178.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.08 -60.92 2.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.943 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -136.19 3.84 2.9 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.447 ' CD1' ' HA ' ' A' ' 27' ' ' HIS . 2.8 m-85 -96.34 -51.32 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.938 -0.305 . . . . 1.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.02 80.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.91 175.42 0.24 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -82.49 80.7 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -71.06 147.45 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.5 tt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.226 -0.892 . . . . 1.0 111.067 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.776 ' HB3' HD23 ' A' ' 3' ' ' LEU . 1.1 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.781 0.324 . . . . 1.0 110.951 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.7 OUTLIER -142.88 -177.31 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 69.76 -64.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -104.55 102.91 36.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.87 179.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.49 2.126 . . . . 1.0 112.295 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.06 38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.063 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -146.13 168.85 19.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.445 ' HB3' HD11 ' A' ' 24' ' ' LEU . 3.5 p90 -150.33 80.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.447 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -165.04 122.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.972 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 3.5 t -91.46 89.34 7.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 1.0 110.471 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.586 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.4 -48.65 85.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 1.0 112.191 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 29.7 Cg_endo -64.21 -7.63 14.34 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.25 1.967 . . . . 1.0 113.133 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 17.2 m -117.4 -30.5 5.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.992 0.425 . . . . 1.0 110.685 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.71 33.53 42.12 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.807 -0.711 . . . . 1.0 112.532 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.3 108.83 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 1.0 111.005 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB2' ' HG2' ' A' ' 10' ' ' MET . . . -85.12 115.96 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.175 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 11.9 m-85 -86.51 142.82 28.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.738 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.61 22.93 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.351 0.5 . . . . 1.0 112.351 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.432 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -165.14 143.58 5.28 Favored Pre-proline 0 C--N 1.332 -0.178 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.582 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 20' ' ' SER . 15.1 Cg_exo -68.24 -45.88 2.5 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.783 2.322 . . . . 1.0 112.15 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -32.86 68.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.394 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -34.28 78.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.147 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 6.0 mt -60.86 -44.63 96.74 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.284 0.564 . . . . 1.0 109.557 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 7.7 tt0 -63.53 -29.79 71.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.19 -0.914 . . . . 1.0 110.113 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.29 -35.21 61.33 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.674 -0.693 . . . . 1.0 109.938 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.445 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 68.6 t60 -75.06 -50.86 15.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.241 -0.891 . . . . 1.0 109.167 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -19.76 64.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.183 -0.917 . . . . 1.0 110.1 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -67.05 -62.55 1.37 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.829 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -148.03 19.46 1.12 Allowed 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.199 0.444 . . . . 1.0 112.199 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.445 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -110.18 -28.49 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.026 -0.269 . . . . 1.0 111.326 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.3 t -74.99 -40.09 60.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 1.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.36 158.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -75.39 69.3 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -74.88 152.66 38.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.766 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.191 -0.909 . . . . 1.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.84 0.353 . . . . 1.0 110.85 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.39 -174.59 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.804 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -172.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 77.65 131.88 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.663 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.19 125.54 12.04 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.508 2.138 . . . . 1.0 112.495 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.15 -36.37 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -120.18 177.29 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.757 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.43 84.53 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.06 122.46 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.0 85.54 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.571 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -52.16 -49.29 85.45 Favored Pre-proline 0 N--CA 1.463 0.184 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.15 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 4.5 Cg_exo -80.47 50.8 3.67 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.847 2.364 . . . . 1.0 112.109 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -157.83 -43.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.001 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.18 29.24 6.47 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 121.054 -0.593 . . . . 1.0 112.383 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mt -139.83 159.54 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.746 0.308 . . . . 1.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.31 113.85 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 7.2 m-85 -84.92 -171.2 3.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.951 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 m -154.82 30.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.11 128.46 1.65 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.041 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 52.3 Cg_exo -53.0 -56.04 3.16 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.673 2.249 . . . . 1.0 112.539 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -55.14 -37.29 66.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.91 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.424 HG22 ' CE2' ' A' ' 18' ' ' PHE . 2.1 m -62.79 -39.05 93.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 1.0 110.377 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD11 ' HB3' ' A' ' 9' ' ' PHE . 2.3 mt -58.0 -44.54 87.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.284 0.564 . . . . 1.0 109.839 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 3.8 tt0 -57.41 -31.41 65.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.482 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.02 76.42 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.239 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.591 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 83.3 t60 -73.45 -50.93 19.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.632 -0.713 . . . . 1.0 109.231 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.09 -18.08 59.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.387 -0.824 . . . . 1.0 110.132 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -66.12 -61.45 2.03 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.89 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -145.56 12.28 1.32 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.914 0.709 . . . . 1.0 112.914 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.591 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 26.7 m-85 -94.76 -55.83 2.98 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.45 103.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.012 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 45.39 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.344 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -98.09 79.71 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -66.22 160.8 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.511 HG23 ' OXT' ' A' ' 36' ' ' ILE . 3.5 tt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.21 -0.9 . . . . 1.0 111.047 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.89 0.376 . . . . 1.0 110.977 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -157.35 96.12 1.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.861 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -177.03 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.89 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.98 155.62 79.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.813 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.09 95.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.633 2.222 . . . . 1.0 112.031 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.01 -31.17 66.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.308 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -129.54 173.92 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.668 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -126.42 81.86 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.835 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.1 ttt -164.27 122.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.785 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 2.5 t -87.58 89.16 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 1.0 110.753 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.561 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 3.4 mt -50.66 -48.94 81.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.65 -0.704 . . . . 1.0 112.169 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 39.8 Cg_endo -68.09 -1.23 6.7 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.266 1.977 . . . . 1.0 113.576 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 5.4 m -119.23 -28.66 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 1.0 110.732 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.8 27.08 57.45 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.775 -0.726 . . . . 1.0 112.613 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.8 mt -125.8 102.55 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 1.0 110.986 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 119.45 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 4.3 m-30 -84.95 -162.99 0.76 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.687 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 m -154.48 28.31 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 1.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.425 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -164.48 150.32 9.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.564 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.93 -46.0 0.63 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.509 2.139 . . . . 1.0 112.418 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -35.72 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.766 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' A' ' 18' ' ' PHE . 12.8 p -62.16 -39.14 91.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.426 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 9' ' ' PHE . 3.9 mt -57.15 -44.68 83.67 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.328 0.585 . . . . 1.0 109.876 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.13 -28.26 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.374 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . -73.78 -36.08 65.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.229 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 79.1 t60 -73.84 -50.72 19.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.187 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -19.06 59.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.213 -0.903 . . . . 1.0 110.285 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.02 -61.93 1.86 Allowed 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.552 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -149.37 16.14 0.91 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.643 0.609 . . . . 1.0 112.643 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.535 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 3.5 m-85 -95.06 -45.09 7.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.726 0.298 . . . . 1.0 111.166 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -57.05 87.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.054 -179.688 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 t 45.2 -90.54 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.554 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' CYS . 66.9 m80 -155.0 108.78 2.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.789 0.328 . . . . 1.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -135.05 100.21 4.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.796 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.257 -0.877 . . . . 1.0 111.034 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.829 0.347 . . . . 1.0 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.591 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -64.96 -178.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.33 -74.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 141.39 40.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.798 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -74.45 165.35 31.92 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.455 2.103 . . . . 1.0 112.319 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.31 30.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.35 152.27 30.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.1 p90 -141.88 66.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.433 ' SD ' ' HB2' ' A' ' 17' ' ' ALA . 65.4 ttp -165.22 123.82 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 t -84.87 86.26 7.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.742 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -53.84 -45.91 98.68 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.338 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 35.9 Cg_exo -57.75 -14.87 19.02 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.435 2.09 . . . . 1.0 112.61 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.7 m -113.64 -29.18 7.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.045 0.45 . . . . 1.0 110.253 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.09 31.65 42.17 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.797 -0.716 . . . . 1.0 112.586 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.7 mt -130.39 105.4 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.433 ' HB2' ' SD ' ' A' ' 10' ' ' MET . . . -84.92 115.7 22.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.222 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 14.2 m-85 -85.28 -48.18 9.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.752 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 0.6 OUTLIER 69.66 48.21 0.61 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.252 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' SER . 37.8 t -165.14 102.15 0.79 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.209 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -60.87 76.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.687 2.258 . . . . 1.0 112.049 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.2 OUTLIER 175.98 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.266 -0.879 . . . . 1.0 108.692 -179.826 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -65.76 -28.79 69.29 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.558 -0.904 . . . . 1.0 108.558 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 24' ' ' LEU . 2.4 mt -62.45 -45.21 94.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.252 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -64.41 -29.21 70.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.202 -0.908 . . . . 1.0 109.797 178.635 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.43 61.42 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.848 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 70.2 t60 -71.77 -52.96 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.246 -0.888 . . . . 1.0 109.36 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -17.23 62.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.361 -0.836 . . . . 1.0 110.481 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -70.91 -59.45 2.79 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.98 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -142.7 12.46 1.89 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.504 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -104.89 -39.56 6.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.697 0.284 . . . . 1.0 111.205 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.06 102.53 4.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.805 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.39 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.354 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -100.32 87.46 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.823 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -96.56 134.09 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.807 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.246 -0.883 . . . . 1.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.735 0.303 . . . . 1.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -75.35 149.3 38.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.901 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.91 -76.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 110.99 13.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.78 151.52 68.95 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.453 2.102 . . . . 1.0 112.318 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.71 30.4 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -140.93 172.49 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.721 ' CB ' HD11 ' A' ' 24' ' ' LEU . 24.6 p90 -155.1 -171.3 3.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.815 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.7 ttp 75.8 132.41 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.07 89.13 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.558 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.445 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -54.39 -49.36 91.09 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.131 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 84.5 Cg_endo -81.99 53.7 4.7 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.526 2.151 . . . . 1.0 112.278 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.98 -46.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.908 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.03 -24.86 9.15 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.099 -0.572 . . . . 1.0 112.661 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 17' ' ' ALA . 2.7 mt -85.12 159.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 1.0 111.08 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.491 ' N ' HG22 ' A' ' 16' ' ' ILE . . . -139.22 112.2 7.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CE1' ' CG2' ' A' ' 23' ' ' THR . 40.3 m-85 -85.1 -170.06 2.95 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.89 28.81 0.42 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.081 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 1.6 t -165.22 148.53 7.16 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -83.95 44.92 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.856 2.371 . . . . 1.0 112.794 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.56 -48.39 0.47 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 1.0 109.596 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -61.56 -30.32 70.58 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 178.598 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD11 ' CB ' ' A' ' 9' ' ' PHE . 3.1 mt -62.45 -44.89 95.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.725 -0.67 . . . . 1.0 109.463 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -63.43 -31.24 72.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.207 -0.906 . . . . 1.0 109.61 178.659 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.58 -34.91 60.7 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.556 -0.747 . . . . 1.0 109.878 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 72.8 t60 -73.15 -51.13 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.16 -0.927 . . . . 1.0 109.549 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -16.93 64.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.245 178.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -70.69 -60.17 2.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.847 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -148.15 18.05 1.09 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.455 0.539 . . . . 1.0 112.455 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.515 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.35 -35.44 6.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.868 -0.333 . . . . 1.0 111.196 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -75.15 96.73 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 1.0 110.516 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 m 45.46 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.321 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -86.6 76.62 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.52 111.94 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.0 tt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.207 -0.902 . . . . 1.0 111.085 -179.9 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.821 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.718 0.294 . . . . 1.0 111.015 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.821 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.3 OUTLIER -134.98 176.38 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.927 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 65.33 -77.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -82.54 115.99 61.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.28 -176.12 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.351 2.034 . . . . 1.0 112.209 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.03 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.289 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.93 142.0 44.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.025 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.454 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -127.37 72.7 1.39 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.812 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.0 ttt -149.86 115.4 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.815 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.8 88.4 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -68.87 -44.92 31.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.849 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 70.8 Cg_exo -41.03 -31.84 0.84 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.737 2.292 . . . . 1.0 113.265 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.6 p -117.21 -27.65 6.4 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.927 0.394 . . . . 1.0 110.34 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.87 65.04 1.29 Allowed Glycine 0 N--CA 1.438 -1.178 0 C-N-CA 120.845 -0.693 . . . . 1.0 112.799 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.7 mt -149.65 118.79 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 1.0 111.042 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.62 109.23 20.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.094 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.447 ' HB2' HD22 ' A' ' 24' ' ' LEU . 8.0 m-85 -85.8 -163.95 0.95 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.692 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -154.43 32.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.239 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -163.1 107.96 1.01 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.43 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 82.4 Cg_exo -46.06 -56.96 2.47 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.679 2.253 . . . . 1.0 112.78 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -56.02 -38.79 71.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.0 m -61.72 -38.6 88.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.401 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 9' ' ' PHE . 2.0 mt -58.74 -44.38 90.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 1.0 109.945 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.57 -30.81 67.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.347 -0.842 . . . . 1.0 110.632 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.36 62.02 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.191 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' TYR . 58.8 t60 -72.6 -48.84 36.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.382 -0.826 . . . . 1.0 109.604 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -33.68 75.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.108 -0.951 . . . . 1.0 110.98 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.7 7.98 21.45 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -153.41 -36.02 0.11 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' HIS . 7.7 m-85 -94.39 -80.65 0.4 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.631 0.253 . . . . 1.0 111.466 -179.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.71 111.95 0.83 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 1.0 111.126 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.82 130.09 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -95.96 63.77 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.759 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -77.41 156.14 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.227 -0.892 . . . . 1.0 111.031 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.699 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.749 0.309 . . . . 1.0 110.95 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.699 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.6 OUTLIER -162.94 174.41 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.5 29.33 18.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.019 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.39 139.23 0.42 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.818 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.57 130.59 40.99 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 1.0 112.23 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.6 -61.88 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -136.39 167.83 20.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.629 ' HA ' HD11 ' A' ' 24' ' ' LEU . 9.9 p90 -102.8 86.49 2.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.516 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -165.09 122.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.781 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.487 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 3.8 t -84.94 88.34 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.083 0.468 . . . . 1.0 110.496 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.586 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -50.04 -49.02 77.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.652 -0.704 . . . . 1.0 112.119 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 31.3 Cg_endo -64.93 -6.75 13.36 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.298 1.999 . . . . 1.0 113.143 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 10.9 m -117.91 -28.29 5.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.905 0.383 . . . . 1.0 110.645 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.74 30.37 57.99 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.779 -0.725 . . . . 1.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.1 mt -128.83 111.68 23.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.732 0.301 . . . . 1.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.516 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -85.04 123.24 30.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.603 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.522 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 6.8 m-85 -89.05 -175.05 4.69 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.749 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.39 -26.8 26.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.904 -0.589 . . . . 1.0 112.373 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.544 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -165.04 173.99 3.4 Favored Pre-proline 0 CA--C 1.531 0.221 0 C-N-CA 120.892 -0.323 . . . . 1.0 111.76 -179.225 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.544 ' HD2' ' CB ' ' A' ' 20' ' ' SER . 31.1 Cg_endo -64.1 -48.58 4.8 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.715 2.277 . . . . 1.0 112.689 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.9 m -52.78 -39.41 62.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 p -61.97 -36.71 82.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 1.0 110.2 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.629 HD11 ' HA ' ' A' ' 9' ' ' PHE . 5.2 mt -59.73 -44.46 93.75 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.275 0.56 . . . . 1.0 109.497 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -52.51 -34.31 49.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.275 -0.875 . . . . 1.0 110.544 179.545 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.1 -33.23 61.6 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.101 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.568 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 65.9 t60 -73.88 -53.38 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.376 -0.829 . . . . 1.0 109.301 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -20.11 62.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.153 178.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -64.52 -60.63 2.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.834 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -142.72 7.81 1.69 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.585 0.587 . . . . 1.0 112.585 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -99.64 -39.62 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.048 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.09 70.79 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.783 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.69 161.64 0.25 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -75.14 76.43 2.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -81.21 164.03 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.23 -0.89 . . . . 1.0 111.046 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.51 ' OG ' HD23 ' A' ' 3' ' ' LEU . 48.0 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.791 0.329 . . . . 1.0 110.92 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.51 HD23 ' OG ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -135.98 147.57 48.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.875 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 60.66 30.56 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.2 101.84 0.49 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.756 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.21 148.92 75.63 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.434 2.089 . . . . 1.0 112.375 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.88 31.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -129.55 166.04 20.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -153.83 60.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.094 -179.789 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.449 ' HG2' ' HB1' ' A' ' 17' ' ' ALA . 20.2 mtt -160.83 117.65 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -86.47 85.63 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.75 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -52.4 -45.67 95.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.272 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 31.9 Cg_exo -58.59 -13.38 17.21 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.46 2.107 . . . . 1.0 112.65 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.574 ' HB3' HD12 ' A' ' 16' ' ' ILE . 27.7 m -115.48 -29.72 6.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.934 0.397 . . . . 1.0 110.17 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.8 -18.72 54.93 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.783 -0.722 . . . . 1.0 112.976 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.574 HD12 ' HB3' ' A' ' 14' ' ' CYS . 3.5 mt -79.01 127.03 39.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.801 0.334 . . . . 1.0 110.99 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB1' ' HG2' ' A' ' 10' ' ' MET . . . -109.39 116.64 32.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.514 ' CE1' HG21 ' A' ' 23' ' ' THR . 38.6 m-85 -85.07 -169.09 2.48 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.829 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t -154.78 34.94 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.1 t -165.15 139.35 4.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.986 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.4 50.73 3.63 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.68 2.253 . . . . 1.0 112.767 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -144.6 -49.31 0.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.742 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.514 HG21 ' CE1' ' A' ' 18' ' ' PHE . 26.8 m -63.11 -29.99 71.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 9' ' ' PHE . 3.0 mt -62.57 -44.88 95.21 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.747 -0.66 . . . . 1.0 109.416 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.612 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 7.5 tt0 -64.81 -29.97 70.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.236 -0.893 . . . . 1.0 109.724 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.45 -35.17 60.97 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.553 -0.748 . . . . 1.0 109.911 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.524 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 77.9 t60 -74.17 -47.93 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.264 -0.88 . . . . 1.0 109.717 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -13.68 62.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.462 -0.79 . . . . 1.0 110.104 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -74.17 -59.37 2.76 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.091 -0.504 . . . . 1.0 112.022 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -151.97 20.43 0.68 Allowed 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.524 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -107.04 -41.43 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.957 -0.297 . . . . 1.0 111.187 -179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.0 t -75.06 91.36 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 1.0 110.833 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t 74.81 175.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.796 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -102.11 83.91 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.968 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -102.28 132.87 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.75 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.184 -0.912 . . . . 1.0 111.123 -179.908 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.887 0.375 . . . . 1.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.574 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -65.0 -173.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 70.44 -64.57 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -97.63 108.41 45.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.17 92.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.423 2.082 . . . . 1.0 112.229 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.51 -48.94 36.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.51 141.93 31.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.612 ' CB ' HD11 ' A' ' 24' ' ' LEU . 13.4 p90 -124.96 94.7 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.01 123.1 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.818 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 t -86.35 88.05 7.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.795 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 3.4 mt -63.79 -44.95 81.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.87 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 62.9 Cg_exo -40.15 -37.67 1.89 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.791 2.328 . . . . 1.0 113.423 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -115.41 -31.48 5.91 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.985 0.421 . . . . 1.0 110.202 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.98 66.88 1.13 Allowed Glycine 0 N--CA 1.439 -1.126 0 C-N-CA 120.888 -0.672 . . . . 1.0 112.992 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.3 mt -147.29 104.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.738 0.304 . . . . 1.0 110.958 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.94 110.77 19.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 8.9 m-85 -90.33 144.44 25.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.81 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -85.7 31.0 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.385 . . . . 1.0 112.023 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.17 144.6 5.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.685 0.278 . . . . 1.0 111.458 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 67.8 Cg_endo -74.6 -45.64 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.668 2.245 . . . . 1.0 112.185 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.8 m -62.02 -32.17 72.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.222 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -65.04 -34.47 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.097 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.612 HD11 ' CB ' ' A' ' 9' ' ' PHE . 5.2 mt -60.32 -44.68 95.24 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.355 0.598 . . . . 1.0 109.565 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.664 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 1.3 tt0 -65.15 -29.09 69.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.197 -0.91 . . . . 1.0 110.048 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.52 -35.16 60.81 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.087 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.67 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.2 t60 -74.42 -50.38 18.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.259 -0.882 . . . . 1.0 109.451 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.15 -13.4 62.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.572 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -76.47 -54.8 6.21 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.035 0.383 . . . . 1.0 112.035 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -138.66 7.22 2.52 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.67 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -94.59 -71.83 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.633 -0.427 . . . . 1.0 111.23 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.03 119.19 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 1.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 t 45.35 -167.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.369 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -118.28 86.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -82.8 152.34 25.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.449 HG23 ' OXT' ' A' ' 36' ' ' ILE . 5.0 tt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.184 -0.912 . . . . 1.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.34 . . . . 1.0 111.014 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.473 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -66.61 141.57 57.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.855 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.09 149.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 62.49 129.38 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.971 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.02 153.63 52.38 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.457 2.105 . . . . 1.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.77 28.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.174 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -144.53 166.48 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.433 ' O ' ' CG ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -155.27 57.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.349 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.458 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 1.3 ttt -162.52 121.22 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 t -84.88 86.3 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.605 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.52 -48.6 86.16 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.155 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 4.1 Cg_exo -80.38 50.36 3.52 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.957 2.438 . . . . 1.0 112.181 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.38 -49.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.62 -19.18 12.77 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 121.028 -0.606 . . . . 1.0 112.792 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.733 HD11 ' CE1' ' A' ' 27' ' ' HIS . 15.7 pt -99.59 162.78 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 1.0 111.256 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -144.76 110.22 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.979 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.496 ' CE2' HD12 ' A' ' 16' ' ' ILE . 69.4 m-85 -84.78 126.2 33.22 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.002 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.41 40.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.558 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.22 147.93 6.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.688 0.28 . . . . 1.0 110.753 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 56.1 Cg_endo -70.65 -45.94 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.575 2.183 . . . . 1.0 112.592 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -59.07 -37.49 77.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -37.88 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.431 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' ' 21' ' ' PRO . 3.2 mt -57.87 -44.78 86.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.263 0.554 . . . . 1.0 109.826 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -65.17 -28.12 69.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.094 179.27 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 -35.13 61.48 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.168 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.733 ' CE1' HD11 ' A' ' 16' ' ' ILE . 85.6 t60 -74.47 -50.14 19.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.409 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -17.82 63.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 1.0 110.009 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -66.82 -61.56 1.89 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.068 -0.514 . . . . 1.0 111.977 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -145.31 12.98 1.39 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.0 0.741 . . . . 1.0 113.0 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.607 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 3.2 m-85 -94.68 -57.51 2.45 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.132 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 84.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.84 -177.4 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -111.33 84.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.97 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.54 179.94 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.253 -0.879 . . . . 1.0 111.078 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.53 ' HB3' HD23 ' A' ' 3' ' ' LEU . 70.0 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.782 0.325 . . . . 1.0 110.976 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -134.89 179.23 6.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.42 HD23 HD12 ' A' ' 3' ' ' LEU . 1.9 mm? 64.52 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.963 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -82.74 115.04 56.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.04 172.01 14.72 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.447 2.098 . . . . 1.0 112.27 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.95 39.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.84 158.34 44.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -144.59 73.7 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.727 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.409 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 4.4 mtt -165.01 122.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.731 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 t -97.23 92.48 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 3.3 mt -62.4 -44.93 89.35 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.902 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 59.8 Cg_exo -39.83 -39.67 2.24 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.799 2.333 . . . . 1.0 113.471 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.7 p -115.48 -31.29 5.95 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.066 0.46 . . . . 1.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.99 68.83 1.11 Allowed Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.815 -0.707 . . . . 1.0 112.974 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.4 mt -148.63 108.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.322 . . . . 1.0 110.997 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.409 ' HB2' ' HG2' ' A' ' 10' ' ' MET . . . -84.86 109.72 18.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.234 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.478 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.4 m-85 -88.57 142.26 27.85 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.774 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.85 30.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.939 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.12 147.2 6.6 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-O 120.713 0.292 . . . . 1.0 111.505 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 73.0 Cg_endo -76.69 -45.47 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.709 2.273 . . . . 1.0 112.324 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -61.47 -33.89 74.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.229 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.477 HG21 ' CD1' ' A' ' 18' ' ' PHE . 62.0 m -62.96 -34.43 77.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.058 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.1 mt -61.04 -44.6 97.15 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.641 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.673 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -62.66 -30.11 71.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.187 -0.915 . . . . 1.0 110.136 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 -34.92 61.48 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.15 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.717 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 84.3 t60 -75.12 -48.62 22.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.217 -0.901 . . . . 1.0 109.602 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -12.45 61.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.376 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -76.96 -55.38 5.51 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.306 -0.406 . . . . 1.0 112.017 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -141.67 10.83 2.05 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.875 0.694 . . . . 1.0 112.875 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.717 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -94.53 -72.47 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.636 -0.426 . . . . 1.0 111.146 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 106.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 1.0 110.806 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m 74.68 168.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -102.75 88.32 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.83 166.55 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.243 -0.884 . . . . 1.0 111.01 179.916 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.75 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.841 0.353 . . . . 1.0 111.021 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -135.0 -177.7 4.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.81 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.58 -75.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -97.02 147.1 32.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.43 -168.93 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.53 2.154 . . . . 1.0 112.259 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.69 -44.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.417 ' NH2' HD21 ' A' ' 12' ' ' LEU . 12.3 ttp180 -98.55 149.24 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.593 ' CB ' HD11 ' A' ' 24' ' ' LEU . 11.2 p90 -125.4 92.58 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.1 mtt -163.05 121.17 2.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -89.94 88.67 7.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.817 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -65.11 -44.91 72.01 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.9 -179.79 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 58.7 Cg_exo -39.71 -37.51 1.47 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.857 2.371 . . . . 1.0 113.328 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.2 p -114.99 -31.05 6.2 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.003 0.43 . . . . 1.0 110.141 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.63 70.81 1.19 Allowed Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.821 -0.704 . . . . 1.0 113.041 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.9 mt -152.82 106.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 1.0 110.905 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 113.71 21.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.051 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.493 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.8 m-85 -88.25 155.23 19.85 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -85.62 14.41 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.367 0.506 . . . . 1.0 112.367 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -165.21 157.83 13.6 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 1.0 111.777 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 71.6 Cg_endo -77.1 -43.88 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.94 2.427 . . . . 1.0 112.156 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 m -59.14 -31.69 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.334 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -65.44 -34.8 79.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.133 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.593 HD11 ' CB ' ' A' ' 9' ' ' PHE . 5.6 mt -60.66 -44.62 96.23 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.554 178.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.589 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -62.65 -30.95 71.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.007 179.324 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.55 -34.72 60.75 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.072 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.682 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 79.2 t60 -74.57 -49.46 21.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.478 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -14.47 63.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.25 -0.886 . . . . 1.0 110.436 178.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -74.87 -54.61 6.97 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.271 -0.422 . . . . 1.0 112.122 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -139.39 7.15 2.36 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.934 0.716 . . . . 1.0 112.934 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.682 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -94.5 -75.68 0.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.183 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.76 119.08 5.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 1.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.0 m 45.26 -168.11 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.406 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -120.56 88.11 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -80.45 136.88 36.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.74 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.205 -0.902 . . . . 1.0 111.097 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.775 0.322 . . . . 1.0 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.2 tp 62.26 122.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.35 -70.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 135.02 72.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.96 151.9 45.65 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.504 2.136 . . . . 1.0 112.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.31 33.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.06 164.6 38.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' HB3' HD11 ' A' ' 24' ' ' LEU . 2.4 p90 -155.02 82.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.15 123.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.36 91.11 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.507 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -71.77 -45.05 12.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.81 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 63.6 Cg_exo -40.09 -34.5 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.717 2.278 . . . . 1.0 113.281 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.5 p -115.49 -28.99 6.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.017 0.437 . . . . 1.0 110.242 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.48 67.38 1.28 Allowed Glycine 0 N--CA 1.439 -1.121 0 C-N-CA 120.88 -0.676 . . . . 1.0 112.943 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.8 mt -151.55 107.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 1.0 111.075 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.01 113.25 21.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.059 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.5 m-85 -92.26 140.89 29.16 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -85.75 29.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.827 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.18 146.82 6.39 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-O 120.751 0.31 . . . . 1.0 111.572 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.436 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 73.6 Cg_endo -76.36 -45.62 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.793 2.329 . . . . 1.0 112.322 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -61.39 -34.02 74.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.215 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -63.16 -34.66 78.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.063 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.2 mt -60.26 -44.71 95.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.345 0.593 . . . . 1.0 109.655 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -64.09 -29.76 70.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.206 -0.906 . . . . 1.0 110.092 179.217 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.33 -35.42 61.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.724 -0.671 . . . . 1.0 109.834 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.54 ' O ' ' HB2' ' A' ' 31' ' ' TYR . 79.2 t60 -74.34 -49.14 24.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.068 -0.969 . . . . 1.0 109.267 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -14.22 62.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.152 -0.931 . . . . 1.0 110.886 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -85.19 -46.02 11.47 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.715 0.635 . . . . 1.0 112.715 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -128.48 -8.02 5.19 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.23 0.826 . . . . 1.0 113.23 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.54 ' HB2' ' O ' ' A' ' 27' ' ' HIS . 5.2 m-85 -94.87 -84.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.661 -0.415 . . . . 1.0 111.363 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 111.05 1.55 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.913 0.387 . . . . 1.0 110.873 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.85 118.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -84.87 57.01 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.11 147.86 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.223 -0.894 . . . . 1.0 111.101 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.71 0.29 . . . . 1.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.38 -178.68 6.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.62 -72.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 152.04 63.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 123.22 9.64 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.566 2.178 . . . . 1.0 112.245 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.48 -53.13 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.096 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -110.85 171.63 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.665 ' HB3' HD11 ' A' ' 24' ' ' LEU . 2.7 p90 -136.21 98.23 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.05 122.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.792 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -88.98 88.79 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.506 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -62.66 -44.81 87.67 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.855 -0.611 . . . . 1.0 111.847 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 57.2 Cg_exo -39.75 -38.03 1.66 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.807 2.338 . . . . 1.0 113.439 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.7 p -115.45 -29.22 6.59 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.927 0.394 . . . . 1.0 110.216 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.13 69.01 1.25 Allowed Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.871 -0.68 . . . . 1.0 112.96 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.5 mt -151.39 107.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 1.0 110.978 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.86 112.67 20.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.214 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.513 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 9.5 m-85 -88.21 145.76 25.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -85.64 24.17 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.403 0.52 . . . . 1.0 112.403 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -165.14 147.32 6.64 Favored Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.71 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.471 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 7.7 Cg_exo -72.48 -46.65 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.97 2.447 . . . . 1.0 112.275 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.52 -32.81 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.596 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -35.7 82.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.253 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 9' ' ' PHE . 4.0 mt -60.03 -44.62 94.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.27 0.557 . . . . 1.0 109.646 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.652 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -62.57 -30.53 71.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.111 179.298 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.29 -34.89 61.34 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.119 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.629 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 85.5 t60 -75.01 -49.5 19.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.189 -0.914 . . . . 1.0 109.496 179.185 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.43 -13.11 62.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.39 -0.823 . . . . 1.0 110.218 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -75.95 -54.31 7.07 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 112.239 0.459 . . . . 1.0 112.239 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -142.8 9.83 1.77 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.238 0.829 . . . . 1.0 113.238 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.629 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -94.39 -77.91 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.524 -0.47 . . . . 1.0 110.947 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 131.32 50.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 1.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.37 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -115.21 93.64 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -78.29 142.75 37.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.217 -0.897 . . . . 1.0 111.049 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.499 -0.24 . . . . 1.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.822 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER 65.09 -78.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 1.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.822 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -138.62 154.15 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.907 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.0 29.87 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.58 102.67 0.59 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.812 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.05 138.51 44.09 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.432 2.088 . . . . 1.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.09 31.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.2 123.01 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.461 ' CB ' HD21 ' A' ' 24' ' ' LEU . 6.0 p90 -113.28 71.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.451 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 5.0 ttt -165.1 122.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.7 t -92.85 88.82 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.809 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -54.33 -45.62 99.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.27 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 32.0 Cg_exo -58.58 -14.47 21.35 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.534 2.156 . . . . 1.0 112.71 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.8 m -114.35 -29.45 6.89 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.99 0.424 . . . . 1.0 110.207 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.08 31.11 29.49 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.835 -0.698 . . . . 1.0 112.63 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 mt -127.84 110.36 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 1.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -89.07 119.01 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' HG22 ' A' ' 23' ' ' THR . 20.0 m-85 -85.01 -163.02 0.77 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.726 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.56 28.4 0.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 1.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.2 138.85 3.84 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.828 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 28.1 Cg_endo -62.54 -52.89 2.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.503 2.136 . . . . 1.0 112.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -58.48 -31.44 67.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.514 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' CD1' ' A' ' 18' ' ' PHE . 87.4 m -65.93 -38.05 87.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.297 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 9' ' ' PHE . 3.6 mt -58.23 -44.58 88.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.271 0.557 . . . . 1.0 109.689 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 2.7 tm-20 -62.28 -29.4 70.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.0 110.175 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.44 75.7 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.053 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.8 t60 -71.58 -50.35 31.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.395 -0.82 . . . . 1.0 109.486 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -15.47 63.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.456 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -73.06 -58.7 3.12 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.251 -0.431 . . . . 1.0 112.08 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -142.13 10.7 1.94 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.475 0.546 . . . . 1.0 112.475 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.546 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -102.17 -45.22 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.217 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -75.11 106.45 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.825 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m 45.42 -167.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.272 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -104.95 77.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -79.14 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.6 tt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.194 -0.907 . . . . 1.0 111.023 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.547 -0.221 . . . . 1.0 112.547 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.485 ' HB3' HD23 ' A' ' 3' ' ' LEU . 58.5 m 63.12 -79.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.709 0.29 . . . . 1.0 111.102 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.485 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -138.81 173.74 11.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.922 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.18 32.34 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.96 126.16 0.83 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -74.1 72.45 4.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.393 2.062 . . . . 1.0 112.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.75 53.55 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.071 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 ttm-85 -152.68 124.08 7.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.79 55.15 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.423 ' HG3' ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -163.18 114.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.3 86.18 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -53.93 -45.98 98.73 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.315 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 34.0 Cg_exo -58.12 -14.71 20.15 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.484 2.123 . . . . 1.0 112.668 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 m -114.41 -28.99 7.02 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.982 0.42 . . . . 1.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.51 28.71 46.78 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.884 -0.674 . . . . 1.0 112.557 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.0 mt -125.08 107.03 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 1.0 110.861 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.423 ' CB ' ' HG3' ' A' ' 10' ' ' MET . . . -84.9 117.66 24.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.213 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 13.9 m-85 -85.58 -47.94 9.38 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m 58.01 40.55 25.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.311 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.527 ' H ' HD21 ' A' ' 24' ' ' LEU . 3.1 m -165.23 110.48 0.8 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.987 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.58 170.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.34 2.027 . . . . 1.0 112.142 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 69.38 -64.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.282 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -30.07 55.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.063 0.459 . . . . 1.0 110.01 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.527 HD21 ' H ' ' A' ' 20' ' ' SER . 6.6 mt -63.11 -44.69 94.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.377 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 4.0 tt0 -65.42 -27.41 68.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.147 -0.933 . . . . 1.0 110.057 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.41 90.22 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.966 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.575 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.1 t60 -69.07 -50.87 44.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.359 -0.837 . . . . 1.0 109.525 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -67.4 -13.03 61.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.329 -0.85 . . . . 1.0 110.592 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -76.19 -57.14 4.04 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.284 -0.416 . . . . 1.0 112.082 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -142.18 9.51 1.88 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.601 0.593 . . . . 1.0 112.601 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.575 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -101.61 -46.08 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.083 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.07 87.68 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.781 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.8 -170.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.937 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -110.94 80.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.827 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.8 ttm105 -79.03 127.76 32.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.791 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.275 -0.869 . . . . 1.0 111.045 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.093 0 N-CA-C 112.513 -0.235 . . . . 1.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.584 ' HB3' HD23 ' A' ' 3' ' ' LEU . 60.1 m 63.04 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.311 . . . . 1.0 111.088 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -135.56 -177.6 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.86 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER 68.06 -72.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.945 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -94.66 139.97 22.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.34 -167.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.482 2.121 . . . . 1.0 112.223 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.01 -70.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.25 177.64 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.721 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -118.0 -159.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.655 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.444 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER 74.87 132.61 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.982 0.42 . . . . 1.0 111.279 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 t -94.63 90.15 6.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.573 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -50.35 -49.09 78.97 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.483 -179.642 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' A' ' 12' ' ' LEU . 83.9 Cg_endo -82.63 51.64 3.79 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.419 2.079 . . . . 1.0 112.464 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -157.47 -47.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.42 -25.63 9.64 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 121.069 -0.586 . . . . 1.0 112.72 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 17' ' ' ALA . 4.4 mt -84.11 157.93 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.745 0.307 . . . . 1.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' HG22 ' A' ' 16' ' ' ILE . . . -130.8 113.82 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.448 ' CE1' HG22 ' A' ' 23' ' ' THR . 33.6 m-85 -85.03 -167.9 2.01 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.905 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -154.68 28.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.624 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.21 141.33 4.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.741 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.38 -50.03 1.58 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.494 2.13 . . . . 1.0 112.544 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.7 p -58.27 -35.5 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.448 HG22 ' CE1' ' A' ' 18' ' ' PHE . 1.3 m -61.83 -41.71 98.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.421 . . . . 1.0 110.458 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' A' ' 9' ' ' PHE . 2.7 mt -56.7 -44.39 81.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.933 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -56.63 -32.28 65.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.439 -0.8 . . . . 1.0 110.32 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.11 66.6 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.912 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 72.4 t60 -73.84 -49.78 23.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.295 -0.866 . . . . 1.0 109.322 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.62 -17.49 64.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.177 -0.92 . . . . 1.0 110.274 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -70.07 -60.96 1.97 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.079 -0.509 . . . . 1.0 112.01 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -143.59 13.52 1.74 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.444 0.535 . . . . 1.0 112.444 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.507 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -103.64 -41.1 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.875 -0.33 . . . . 1.0 111.215 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.2 t -75.05 85.3 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.506 -0.315 . . . . 1.0 110.818 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 t 74.79 171.43 0.28 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -93.7 80.75 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -81.56 145.94 30.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.271 -0.871 . . . . 1.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.526 -0.23 . . . . 1.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.779 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER 68.0 -70.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.759 0.314 . . . . 1.0 110.973 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -135.14 177.02 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.983 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.523 HD23 HD12 ' A' ' 3' ' ' LEU . 2.0 mm? 64.45 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.982 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -72.27 145.08 87.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.84 129.3 32.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.508 2.139 . . . . 1.0 112.228 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.95 -48.51 10.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -133.95 174.41 10.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.468 ' CB ' HD11 ' A' ' 24' ' ' LEU . 5.3 p90 -127.5 76.39 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.696 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.477 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 18.3 ttt -165.31 127.38 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.5 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.58 85.92 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.769 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -55.29 -46.09 99.75 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.2 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 47.3 Cg_exo -56.15 -16.31 16.69 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.352 2.035 . . . . 1.0 112.406 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 m -112.49 -27.29 8.3 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.114 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.08 37.05 38.88 Favored Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 120.825 -0.702 . . . . 1.0 112.464 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.8 mt -137.03 105.97 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 1.0 111.046 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.477 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -84.92 122.4 29.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.539 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 13.5 m-85 -84.88 -179.99 7.2 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.423 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 t -85.25 -24.74 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 1.0 112.231 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.478 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -151.76 172.38 5.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.796 0.332 . . . . 1.0 111.786 -179.376 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 58.9 Cg_endo -72.66 -42.04 1.36 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.734 2.29 . . . . 1.0 112.538 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 m -56.04 -37.02 68.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.716 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.9 p -62.28 -36.53 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.147 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' HG ' ' HA ' ' A' ' 21' ' ' PRO . 5.6 mt -59.44 -44.56 92.91 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.937 -0.574 . . . . 1.0 109.544 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 9.6 tt0 -57.08 -32.24 66.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.306 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.14 -34.25 61.62 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.76 -0.654 . . . . 1.0 109.948 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 65.4 t60 -73.92 -52.07 14.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.285 -0.871 . . . . 1.0 109.3 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -18.98 63.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.197 -0.911 . . . . 1.0 110.233 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -68.01 -61.02 2.05 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.959 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -140.01 9.13 2.33 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.545 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -101.31 -43.39 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.918 -0.313 . . . . 1.0 111.218 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.17 109.41 8.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.597 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 m 45.42 -168.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.25 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -120.57 63.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -80.35 126.05 30.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.69 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.208 -0.901 . . . . 1.0 111.052 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.546 -0.222 . . . . 1.0 112.546 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.614 ' C ' HD23 ' A' ' 3' ' ' LEU . 1.4 t 59.92 95.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.707 0.289 . . . . 1.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.614 HD23 ' C ' ' A' ' 2' ' ' SER . 0.6 OUTLIER 48.02 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.432 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER 65.17 -74.15 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.014 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -99.78 143.54 26.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.1 175.95 9.8 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.519 2.146 . . . . 1.0 112.268 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.97 -43.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.4 mtp85 -75.36 125.95 30.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.85 ' HA ' HD11 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -111.26 68.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.839 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.559 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 35.5 ttm -165.21 124.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.564 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -84.66 86.05 7.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.648 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.58 -46.67 90.82 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.381 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 34.4 Cg_exo -57.66 -15.33 20.27 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.456 2.104 . . . . 1.0 112.661 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.4 m -115.28 -27.62 7.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.961 0.41 . . . . 1.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.84 34.04 39.88 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.911 -0.661 . . . . 1.0 112.541 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.6 mt -130.31 106.37 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.834 0.35 . . . . 1.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.559 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -84.97 120.22 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.616 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 15.1 m-85 -84.97 -174.93 5.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.457 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -28.72 25.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.911 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.453 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -162.28 167.03 13.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 1.0 111.61 -179.613 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 10.6 Cg_endo -54.02 -49.91 15.48 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.852 2.368 . . . . 1.0 112.397 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.15 -31.86 33.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.694 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -39.66 90.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.204 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.85 HD11 ' HA ' ' A' ' 9' ' ' PHE . 5.0 mt -58.5 -44.42 89.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.685 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 8.9 tt0 -52.35 -34.02 45.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.753 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.05 -33.11 61.69 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.206 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.573 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 70.3 t60 -74.66 -53.64 8.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.267 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -19.35 60.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.28 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -65.91 -58.64 5.11 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.947 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -139.12 3.11 2.16 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.028 0.751 . . . . 1.0 113.028 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.573 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 6.2 m-85 -94.88 -56.07 2.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.661 -0.416 . . . . 1.0 111.063 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.8 103.65 0.23 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 45.48 -170.64 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.508 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -105.27 68.96 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -81.24 131.74 35.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.185 -0.912 . . . . 1.0 111.021 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.435 -0.266 . . . . 1.0 112.435 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 60.64 170.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 1.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.559 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -67.91 176.25 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.865 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.01 31.39 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.55 147.85 2.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.14 154.92 61.96 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.545 2.163 . . . . 1.0 112.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.43 141.04 7.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.42 125.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.044 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.844 ' HA ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -106.15 70.39 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.513 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.669 ' SD ' HD23 ' A' ' 12' ' ' LEU . 1.6 tmt? -165.3 132.66 2.97 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.22 86.13 7.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.669 HD23 ' SD ' ' A' ' 10' ' ' MET . 4.9 mt -49.92 -49.73 72.56 Favored Pre-proline 0 N--CA 1.463 0.19 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.314 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 2.2 Cg_endo -81.84 51.45 3.83 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.837 2.358 . . . . 1.0 111.855 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -161.02 -42.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.867 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.75 32.12 13.83 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.993 -0.622 . . . . 1.0 112.527 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.2 mt -141.06 98.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.78 0.324 . . . . 1.0 111.33 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -85.07 122.71 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.403 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 22.5 m-85 -84.75 -88.63 0.11 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.278 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m 174.91 -36.21 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.643 0.258 . . . . 1.0 111.574 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.408 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -139.49 166.13 26.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.681 0.277 . . . . 1.0 111.342 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 31.7 Cg_endo -64.01 -51.19 2.37 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.688 2.259 . . . . 1.0 112.373 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -39.23 60.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -41.15 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.261 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.844 HD11 ' HA ' ' A' ' 9' ' ' PHE . 2.8 mt -58.14 -44.13 87.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.315 0.579 . . . . 1.0 109.841 178.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.94 -36.34 17.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.292 -0.867 . . . . 1.0 110.612 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.62 -34.42 69.8 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.945 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 67.3 t60 -72.69 -54.36 9.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.356 -0.838 . . . . 1.0 109.251 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -19.87 54.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.26 178.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.08 -60.92 2.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.943 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -136.19 3.84 2.9 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.447 ' CD1' ' HA ' ' A' ' 27' ' ' HIS . 2.8 m-85 -96.34 -51.32 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.938 -0.305 . . . . 1.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.02 80.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.91 175.42 0.24 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -82.49 80.7 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -71.06 147.45 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.5 tt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.226 -0.892 . . . . 1.0 111.067 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.51 -0.236 . . . . 1.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.776 ' HB3' HD23 ' A' ' 3' ' ' LEU . 1.1 m 63.86 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 1.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.7 OUTLIER -142.88 -177.31 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 69.76 -64.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -104.55 102.91 36.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.87 179.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.49 2.126 . . . . 1.0 112.295 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.06 38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.063 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -146.13 168.85 19.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.445 ' HB3' HD11 ' A' ' 24' ' ' LEU . 3.5 p90 -150.33 80.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.447 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -165.04 122.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.972 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 3.5 t -91.46 89.34 7.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 1.0 110.471 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.586 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.4 -48.65 85.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 1.0 112.191 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 29.7 Cg_endo -64.21 -7.63 14.34 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.25 1.967 . . . . 1.0 113.133 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 17.2 m -117.4 -30.5 5.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.992 0.425 . . . . 1.0 110.685 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.71 33.53 42.12 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.807 -0.711 . . . . 1.0 112.532 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.3 108.83 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 1.0 111.005 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB2' ' HG2' ' A' ' 10' ' ' MET . . . -85.12 115.96 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.175 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 11.9 m-85 -86.51 142.82 28.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.738 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.61 22.93 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.351 0.5 . . . . 1.0 112.351 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.432 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -165.14 143.58 5.28 Favored Pre-proline 0 C--N 1.332 -0.178 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.582 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 20' ' ' SER . 15.1 Cg_exo -68.24 -45.88 2.5 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.783 2.322 . . . . 1.0 112.15 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -32.86 68.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.394 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -34.28 78.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.147 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 6.0 mt -60.86 -44.63 96.74 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.284 0.564 . . . . 1.0 109.557 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 7.7 tt0 -63.53 -29.79 71.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.19 -0.914 . . . . 1.0 110.113 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.29 -35.21 61.33 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.674 -0.693 . . . . 1.0 109.938 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.445 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 68.6 t60 -75.06 -50.86 15.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.241 -0.891 . . . . 1.0 109.167 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -19.76 64.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.183 -0.917 . . . . 1.0 110.1 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -67.05 -62.55 1.37 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.829 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -148.03 19.46 1.12 Allowed 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.199 0.444 . . . . 1.0 112.199 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.445 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -110.18 -28.49 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.026 -0.269 . . . . 1.0 111.326 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.3 t -74.99 -40.09 60.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 1.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.36 158.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -75.39 69.3 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -74.88 152.66 38.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.766 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.191 -0.909 . . . . 1.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.561 -0.216 . . . . 1.0 112.561 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.11 -50.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 1.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.39 -174.59 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.804 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -172.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 77.65 131.88 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.663 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.19 125.54 12.04 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.508 2.138 . . . . 1.0 112.495 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.15 -36.37 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -120.18 177.29 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.757 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.43 84.53 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.06 122.46 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.0 85.54 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.571 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -52.16 -49.29 85.45 Favored Pre-proline 0 N--CA 1.463 0.184 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.15 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 4.5 Cg_exo -80.47 50.8 3.67 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.847 2.364 . . . . 1.0 112.109 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -157.83 -43.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.001 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.18 29.24 6.47 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 121.054 -0.593 . . . . 1.0 112.383 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mt -139.83 159.54 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.746 0.308 . . . . 1.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.31 113.85 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 7.2 m-85 -84.92 -171.2 3.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.951 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 m -154.82 30.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.11 128.46 1.65 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.041 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 52.3 Cg_exo -53.0 -56.04 3.16 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.673 2.249 . . . . 1.0 112.539 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -55.14 -37.29 66.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.91 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.424 HG22 ' CE2' ' A' ' 18' ' ' PHE . 2.1 m -62.79 -39.05 93.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 1.0 110.377 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD11 ' HB3' ' A' ' 9' ' ' PHE . 2.3 mt -58.0 -44.54 87.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.284 0.564 . . . . 1.0 109.839 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 3.8 tt0 -57.41 -31.41 65.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.482 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.02 76.42 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.239 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.591 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 83.3 t60 -73.45 -50.93 19.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.632 -0.713 . . . . 1.0 109.231 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.09 -18.08 59.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.387 -0.824 . . . . 1.0 110.132 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -66.12 -61.45 2.03 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.89 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -145.56 12.28 1.32 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.914 0.709 . . . . 1.0 112.914 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.591 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 26.7 m-85 -94.76 -55.83 2.98 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.45 103.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.012 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 45.39 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.344 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -98.09 79.71 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -66.22 160.8 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.511 HG23 ' OXT' ' A' ' 36' ' ' ILE . 3.5 tt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.21 -0.9 . . . . 1.0 111.047 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.464 -0.254 . . . . 1.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.46 -54.48 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 1.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -157.35 96.12 1.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.861 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -177.03 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.89 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.98 155.62 79.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.813 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.09 95.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.633 2.222 . . . . 1.0 112.031 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.01 -31.17 66.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.308 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -129.54 173.92 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.668 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -126.42 81.86 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.835 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.1 ttt -164.27 122.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.785 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 2.5 t -87.58 89.16 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 1.0 110.753 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.561 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 3.4 mt -50.66 -48.94 81.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.65 -0.704 . . . . 1.0 112.169 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 39.8 Cg_endo -68.09 -1.23 6.7 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.266 1.977 . . . . 1.0 113.576 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 5.4 m -119.23 -28.66 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 1.0 110.732 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.8 27.08 57.45 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.775 -0.726 . . . . 1.0 112.613 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.8 mt -125.8 102.55 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 1.0 110.986 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 119.45 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 4.3 m-30 -84.95 -162.99 0.76 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.687 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 m -154.48 28.31 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 1.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.425 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -164.48 150.32 9.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.564 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.93 -46.0 0.63 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.509 2.139 . . . . 1.0 112.418 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -35.72 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.766 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' A' ' 18' ' ' PHE . 12.8 p -62.16 -39.14 91.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.426 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 9' ' ' PHE . 3.9 mt -57.15 -44.68 83.67 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.328 0.585 . . . . 1.0 109.876 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.13 -28.26 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.374 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . -73.78 -36.08 65.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.229 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 79.1 t60 -73.84 -50.72 19.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.187 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -19.06 59.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.213 -0.903 . . . . 1.0 110.285 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.02 -61.93 1.86 Allowed 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.552 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -149.37 16.14 0.91 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.643 0.609 . . . . 1.0 112.643 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.535 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 3.5 m-85 -95.06 -45.09 7.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.726 0.298 . . . . 1.0 111.166 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -57.05 87.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.054 -179.688 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 t 45.2 -90.54 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.554 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' CYS . 66.9 m80 -155.0 108.78 2.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.789 0.328 . . . . 1.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -135.05 100.21 4.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.796 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.257 -0.877 . . . . 1.0 111.034 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.466 ' HA2' ' HB2' ' A' ' 7' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.505 -0.238 . . . . 1.0 112.505 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m 60.15 -171.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 1.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.591 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -64.96 -178.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.33 -74.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 141.39 40.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.798 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -74.45 165.35 31.92 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.455 2.103 . . . . 1.0 112.319 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HB2' ' HA2' ' A' ' 1' ' ' GLY . . . -161.31 30.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.084 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.35 152.27 30.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.1 p90 -141.88 66.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.433 ' SD ' ' HB2' ' A' ' 17' ' ' ALA . 65.4 ttp -165.22 123.82 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 t -84.87 86.26 7.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.742 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -53.84 -45.91 98.68 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.338 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 35.9 Cg_exo -57.75 -14.87 19.02 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.435 2.09 . . . . 1.0 112.61 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.7 m -113.64 -29.18 7.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.045 0.45 . . . . 1.0 110.253 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.09 31.65 42.17 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.797 -0.716 . . . . 1.0 112.586 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.7 mt -130.39 105.4 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.433 ' HB2' ' SD ' ' A' ' 10' ' ' MET . . . -84.92 115.7 22.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.222 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 14.2 m-85 -85.28 -48.18 9.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.752 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 0.6 OUTLIER 69.66 48.21 0.61 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.252 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' SER . 37.8 t -165.14 102.15 0.79 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.209 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -60.87 76.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.687 2.258 . . . . 1.0 112.049 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.2 OUTLIER 175.98 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.266 -0.879 . . . . 1.0 108.692 -179.826 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -65.76 -28.79 69.29 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.558 -0.904 . . . . 1.0 108.558 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 24' ' ' LEU . 2.4 mt -62.45 -45.21 94.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.252 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -64.41 -29.21 70.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.202 -0.908 . . . . 1.0 109.797 178.635 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.43 61.42 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.848 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 70.2 t60 -71.77 -52.96 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.246 -0.888 . . . . 1.0 109.36 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -17.23 62.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.361 -0.836 . . . . 1.0 110.481 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -70.91 -59.45 2.79 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.98 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -142.7 12.46 1.89 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.504 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -104.89 -39.56 6.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.697 0.284 . . . . 1.0 111.205 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.06 102.53 4.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.805 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.39 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.354 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -100.32 87.46 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.823 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -96.56 134.09 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.807 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.246 -0.883 . . . . 1.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.519 -0.232 . . . . 1.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m 63.09 -79.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.735 0.303 . . . . 1.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -75.35 149.3 38.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.901 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.91 -76.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 110.99 13.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.78 151.52 68.95 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.453 2.102 . . . . 1.0 112.318 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.71 30.4 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -140.93 172.49 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.721 ' CB ' HD11 ' A' ' 24' ' ' LEU . 24.6 p90 -155.1 -171.3 3.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.815 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.7 ttp 75.8 132.41 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.07 89.13 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.558 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -54.39 -49.36 91.09 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.131 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 84.5 Cg_endo -81.99 53.7 4.7 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.526 2.151 . . . . 1.0 112.278 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.98 -46.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.908 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.03 -24.86 9.15 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.099 -0.572 . . . . 1.0 112.661 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 17' ' ' ALA . 2.7 mt -85.12 159.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 1.0 111.08 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.491 ' N ' HG22 ' A' ' 16' ' ' ILE . . . -139.22 112.2 7.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CE1' ' CG2' ' A' ' 23' ' ' THR . 40.3 m-85 -85.1 -170.06 2.95 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.89 28.81 0.42 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.081 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 1.6 t -165.22 148.53 7.16 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -83.95 44.92 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.856 2.371 . . . . 1.0 112.794 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.56 -48.39 0.47 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 1.0 109.596 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -61.56 -30.32 70.58 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 178.598 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD11 ' CB ' ' A' ' 9' ' ' PHE . 3.1 mt -62.45 -44.89 95.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.725 -0.67 . . . . 1.0 109.463 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -63.43 -31.24 72.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.207 -0.906 . . . . 1.0 109.61 178.659 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.58 -34.91 60.7 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.556 -0.747 . . . . 1.0 109.878 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 72.8 t60 -73.15 -51.13 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.16 -0.927 . . . . 1.0 109.549 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -16.93 64.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.245 178.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -70.69 -60.17 2.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.847 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -148.15 18.05 1.09 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.455 0.539 . . . . 1.0 112.455 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.515 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.35 -35.44 6.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.868 -0.333 . . . . 1.0 111.196 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -75.15 96.73 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 1.0 110.516 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 m 45.46 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.321 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -86.6 76.62 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.52 111.94 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.0 tt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.207 -0.902 . . . . 1.0 111.085 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.542 -0.223 . . . . 1.0 112.542 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.821 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.7 OUTLIER 64.37 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.718 0.294 . . . . 1.0 111.015 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.821 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.3 OUTLIER -134.98 176.38 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.927 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 65.33 -77.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -82.54 115.99 61.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.28 -176.12 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.351 2.034 . . . . 1.0 112.209 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.03 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.289 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.93 142.0 44.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.025 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.454 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -127.37 72.7 1.39 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.812 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.0 ttt -149.86 115.4 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.815 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.8 88.4 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -68.87 -44.92 31.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.849 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 70.8 Cg_exo -41.03 -31.84 0.84 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.737 2.292 . . . . 1.0 113.265 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.6 p -117.21 -27.65 6.4 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.927 0.394 . . . . 1.0 110.34 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.87 65.04 1.29 Allowed Glycine 0 N--CA 1.438 -1.178 0 C-N-CA 120.845 -0.693 . . . . 1.0 112.799 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.7 mt -149.65 118.79 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 1.0 111.042 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.62 109.23 20.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.094 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.447 ' HB2' HD22 ' A' ' 24' ' ' LEU . 8.0 m-85 -85.8 -163.95 0.95 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.692 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -154.43 32.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.239 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -163.1 107.96 1.01 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.43 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 82.4 Cg_exo -46.06 -56.96 2.47 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.679 2.253 . . . . 1.0 112.78 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -56.02 -38.79 71.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.0 m -61.72 -38.6 88.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.401 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 9' ' ' PHE . 2.0 mt -58.74 -44.38 90.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 1.0 109.945 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.57 -30.81 67.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.347 -0.842 . . . . 1.0 110.632 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.36 62.02 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.191 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' TYR . 58.8 t60 -72.6 -48.84 36.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.382 -0.826 . . . . 1.0 109.604 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -33.68 75.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.108 -0.951 . . . . 1.0 110.98 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.7 7.98 21.45 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -153.41 -36.02 0.11 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' HIS . 7.7 m-85 -94.39 -80.65 0.4 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.631 0.253 . . . . 1.0 111.466 -179.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.71 111.95 0.83 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 1.0 111.126 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.82 130.09 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -95.96 63.77 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.759 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -77.41 156.14 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.227 -0.892 . . . . 1.0 111.031 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.454 -0.259 . . . . 1.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.699 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.6 OUTLIER 64.58 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.749 0.309 . . . . 1.0 110.95 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.699 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.6 OUTLIER -162.94 174.41 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.5 29.33 18.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.019 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.39 139.23 0.42 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.818 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.57 130.59 40.99 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 1.0 112.23 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.6 -61.88 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -136.39 167.83 20.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.629 ' HA ' HD11 ' A' ' 24' ' ' LEU . 9.9 p90 -102.8 86.49 2.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.516 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -165.09 122.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.781 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.487 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 3.8 t -84.94 88.34 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.083 0.468 . . . . 1.0 110.496 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.586 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -50.04 -49.02 77.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.652 -0.704 . . . . 1.0 112.119 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 31.3 Cg_endo -64.93 -6.75 13.36 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.298 1.999 . . . . 1.0 113.143 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 10.9 m -117.91 -28.29 5.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.905 0.383 . . . . 1.0 110.645 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.74 30.37 57.99 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.779 -0.725 . . . . 1.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.1 mt -128.83 111.68 23.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.732 0.301 . . . . 1.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.516 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -85.04 123.24 30.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.603 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.522 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 6.8 m-85 -89.05 -175.05 4.69 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.749 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.39 -26.8 26.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.904 -0.589 . . . . 1.0 112.373 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.544 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -165.04 173.99 3.4 Favored Pre-proline 0 CA--C 1.531 0.221 0 C-N-CA 120.892 -0.323 . . . . 1.0 111.76 -179.225 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.544 ' HD2' ' CB ' ' A' ' 20' ' ' SER . 31.1 Cg_endo -64.1 -48.58 4.8 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.715 2.277 . . . . 1.0 112.689 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.9 m -52.78 -39.41 62.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 p -61.97 -36.71 82.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 1.0 110.2 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.629 HD11 ' HA ' ' A' ' 9' ' ' PHE . 5.2 mt -59.73 -44.46 93.75 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.275 0.56 . . . . 1.0 109.497 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -52.51 -34.31 49.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.275 -0.875 . . . . 1.0 110.544 179.545 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.1 -33.23 61.6 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.101 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.568 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 65.9 t60 -73.88 -53.38 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.376 -0.829 . . . . 1.0 109.301 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -20.11 62.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.153 178.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -64.52 -60.63 2.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.834 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -142.72 7.81 1.69 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.585 0.587 . . . . 1.0 112.585 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -99.64 -39.62 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.048 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.09 70.79 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.783 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.69 161.64 0.25 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -75.14 76.43 2.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -81.21 164.03 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.23 -0.89 . . . . 1.0 111.046 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.489 -0.244 . . . . 1.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.51 ' OG ' HD23 ' A' ' 3' ' ' LEU . 48.0 t -164.62 -63.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 1.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.51 HD23 ' OG ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -135.98 147.57 48.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.875 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 60.66 30.56 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.2 101.84 0.49 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.756 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.21 148.92 75.63 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.434 2.089 . . . . 1.0 112.375 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.88 31.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -129.55 166.04 20.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -153.83 60.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.094 -179.789 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.449 ' HG2' ' HB1' ' A' ' 17' ' ' ALA . 20.2 mtt -160.83 117.65 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -86.47 85.63 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.75 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -52.4 -45.67 95.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.272 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 31.9 Cg_exo -58.59 -13.38 17.21 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.46 2.107 . . . . 1.0 112.65 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.574 ' HB3' HD12 ' A' ' 16' ' ' ILE . 27.7 m -115.48 -29.72 6.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.934 0.397 . . . . 1.0 110.17 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.8 -18.72 54.93 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.783 -0.722 . . . . 1.0 112.976 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.574 HD12 ' HB3' ' A' ' 14' ' ' CYS . 3.5 mt -79.01 127.03 39.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.801 0.334 . . . . 1.0 110.99 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB1' ' HG2' ' A' ' 10' ' ' MET . . . -109.39 116.64 32.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.514 ' CE1' HG21 ' A' ' 23' ' ' THR . 38.6 m-85 -85.07 -169.09 2.48 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.829 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t -154.78 34.94 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.1 t -165.15 139.35 4.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.986 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.4 50.73 3.63 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.68 2.253 . . . . 1.0 112.767 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -144.6 -49.31 0.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.742 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.514 HG21 ' CE1' ' A' ' 18' ' ' PHE . 26.8 m -63.11 -29.99 71.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 9' ' ' PHE . 3.0 mt -62.57 -44.88 95.21 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.747 -0.66 . . . . 1.0 109.416 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.612 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 7.5 tt0 -64.81 -29.97 70.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.236 -0.893 . . . . 1.0 109.724 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.45 -35.17 60.97 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.553 -0.748 . . . . 1.0 109.911 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 77.9 t60 -74.17 -47.93 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.264 -0.88 . . . . 1.0 109.717 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -13.68 62.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.462 -0.79 . . . . 1.0 110.104 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -74.17 -59.37 2.76 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.091 -0.504 . . . . 1.0 112.022 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -151.97 20.43 0.68 Allowed 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.524 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -107.04 -41.43 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.957 -0.297 . . . . 1.0 111.187 -179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.0 t -75.06 91.36 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 1.0 110.833 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t 74.81 175.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.796 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -102.11 83.91 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.968 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -102.28 132.87 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.75 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.184 -0.912 . . . . 1.0 111.123 -179.908 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.516 ' HA2' ' HB2' ' A' ' 7' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.48 -0.248 . . . . 1.0 112.48 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.88 -175.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 1.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.574 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -65.0 -173.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 70.44 -64.57 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -97.63 108.41 45.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.17 92.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.423 2.082 . . . . 1.0 112.229 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.516 ' HB2' ' HA2' ' A' ' 1' ' ' GLY . . . -72.51 -48.94 36.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.51 141.93 31.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.612 ' CB ' HD11 ' A' ' 24' ' ' LEU . 13.4 p90 -124.96 94.7 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.01 123.1 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.818 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 t -86.35 88.05 7.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.795 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 3.4 mt -63.79 -44.95 81.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.87 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 62.9 Cg_exo -40.15 -37.67 1.89 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.791 2.328 . . . . 1.0 113.423 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -115.41 -31.48 5.91 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.985 0.421 . . . . 1.0 110.202 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.98 66.88 1.13 Allowed Glycine 0 N--CA 1.439 -1.126 0 C-N-CA 120.888 -0.672 . . . . 1.0 112.992 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.3 mt -147.29 104.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.738 0.304 . . . . 1.0 110.958 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.94 110.77 19.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 8.9 m-85 -90.33 144.44 25.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.81 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -85.7 31.0 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.385 . . . . 1.0 112.023 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.17 144.6 5.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.685 0.278 . . . . 1.0 111.458 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 67.8 Cg_endo -74.6 -45.64 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.668 2.245 . . . . 1.0 112.185 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.8 m -62.02 -32.17 72.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.222 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -65.04 -34.47 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.097 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.612 HD11 ' CB ' ' A' ' 9' ' ' PHE . 5.2 mt -60.32 -44.68 95.24 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.355 0.598 . . . . 1.0 109.565 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.664 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 1.3 tt0 -65.15 -29.09 69.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.197 -0.91 . . . . 1.0 110.048 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.52 -35.16 60.81 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.087 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.67 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.2 t60 -74.42 -50.38 18.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.259 -0.882 . . . . 1.0 109.451 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.15 -13.4 62.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.572 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -76.47 -54.8 6.21 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.035 0.383 . . . . 1.0 112.035 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -138.66 7.22 2.52 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.67 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -94.59 -71.83 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.633 -0.427 . . . . 1.0 111.23 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.03 119.19 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 1.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 t 45.35 -167.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.369 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -118.28 86.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -82.8 152.34 25.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.449 HG23 ' OXT' ' A' ' 36' ' ' ILE . 5.0 tt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.184 -0.912 . . . . 1.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.483 -0.247 . . . . 1.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.35 -78.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 1.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.473 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -66.61 141.57 57.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.855 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.09 149.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 62.49 129.38 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.971 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.02 153.63 52.38 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.457 2.105 . . . . 1.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.77 28.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.174 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -144.53 166.48 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.433 ' O ' ' CG ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -155.27 57.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.349 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.458 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 1.3 ttt -162.52 121.22 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 t -84.88 86.3 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.605 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.52 -48.6 86.16 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.155 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 4.1 Cg_exo -80.38 50.36 3.52 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.957 2.438 . . . . 1.0 112.181 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.38 -49.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.62 -19.18 12.77 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 121.028 -0.606 . . . . 1.0 112.792 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.733 HD11 ' CE1' ' A' ' 27' ' ' HIS . 15.7 pt -99.59 162.78 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 1.0 111.256 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -144.76 110.22 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.979 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.496 ' CE2' HD12 ' A' ' 16' ' ' ILE . 69.4 m-85 -84.78 126.2 33.22 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.002 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.41 40.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.558 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.22 147.93 6.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.688 0.28 . . . . 1.0 110.753 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 56.1 Cg_endo -70.65 -45.94 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.575 2.183 . . . . 1.0 112.592 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -59.07 -37.49 77.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -37.88 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.431 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' ' 21' ' ' PRO . 3.2 mt -57.87 -44.78 86.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.263 0.554 . . . . 1.0 109.826 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -65.17 -28.12 69.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.094 179.27 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 -35.13 61.48 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.168 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.733 ' CE1' HD11 ' A' ' 16' ' ' ILE . 85.6 t60 -74.47 -50.14 19.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.409 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -17.82 63.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 1.0 110.009 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -66.82 -61.56 1.89 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.068 -0.514 . . . . 1.0 111.977 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -145.31 12.98 1.39 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.0 0.741 . . . . 1.0 113.0 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.607 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 3.2 m-85 -94.68 -57.51 2.45 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.132 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 84.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.84 -177.4 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -111.33 84.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.97 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.54 179.94 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.253 -0.879 . . . . 1.0 111.078 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.479 -0.249 . . . . 1.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.53 ' HB3' HD23 ' A' ' 3' ' ' LEU . 70.0 m 63.7 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.782 0.325 . . . . 1.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -134.89 179.23 6.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD23 HD12 ' A' ' 3' ' ' LEU . 1.9 mm? 64.52 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.963 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -82.74 115.04 56.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.04 172.01 14.72 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.447 2.098 . . . . 1.0 112.27 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.95 39.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.84 158.34 44.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -144.59 73.7 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.727 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.409 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 4.4 mtt -165.01 122.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.731 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 t -97.23 92.48 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 3.3 mt -62.4 -44.93 89.35 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.902 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 59.8 Cg_exo -39.83 -39.67 2.24 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.799 2.333 . . . . 1.0 113.471 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.7 p -115.48 -31.29 5.95 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.066 0.46 . . . . 1.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.99 68.83 1.11 Allowed Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.815 -0.707 . . . . 1.0 112.974 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.4 mt -148.63 108.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.322 . . . . 1.0 110.997 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.409 ' HB2' ' HG2' ' A' ' 10' ' ' MET . . . -84.86 109.72 18.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.234 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.478 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.4 m-85 -88.57 142.26 27.85 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.774 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.85 30.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.939 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.12 147.2 6.6 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-O 120.713 0.292 . . . . 1.0 111.505 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 73.0 Cg_endo -76.69 -45.47 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.709 2.273 . . . . 1.0 112.324 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -61.47 -33.89 74.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.229 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.477 HG21 ' CD1' ' A' ' 18' ' ' PHE . 62.0 m -62.96 -34.43 77.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.058 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.1 mt -61.04 -44.6 97.15 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.641 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.673 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -62.66 -30.11 71.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.187 -0.915 . . . . 1.0 110.136 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 -34.92 61.48 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.15 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.717 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 84.3 t60 -75.12 -48.62 22.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.217 -0.901 . . . . 1.0 109.602 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -12.45 61.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.376 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -76.96 -55.38 5.51 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.306 -0.406 . . . . 1.0 112.017 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -141.67 10.83 2.05 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.875 0.694 . . . . 1.0 112.875 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.717 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -94.53 -72.47 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.636 -0.426 . . . . 1.0 111.146 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 106.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 1.0 110.806 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m 74.68 168.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -102.75 88.32 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.83 166.55 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.243 -0.884 . . . . 1.0 111.01 179.916 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.44 -0.264 . . . . 1.0 112.44 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.75 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER 67.54 -70.81 0.11 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.841 0.353 . . . . 1.0 111.021 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -135.0 -177.7 4.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.81 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.58 -75.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -97.02 147.1 32.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.43 -168.93 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.53 2.154 . . . . 1.0 112.259 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.69 -44.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.417 ' NH2' HD21 ' A' ' 12' ' ' LEU . 12.3 ttp180 -98.55 149.24 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.593 ' CB ' HD11 ' A' ' 24' ' ' LEU . 11.2 p90 -125.4 92.58 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.1 mtt -163.05 121.17 2.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -89.94 88.67 7.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.817 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -65.11 -44.91 72.01 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.9 -179.79 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 58.7 Cg_exo -39.71 -37.51 1.47 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.857 2.371 . . . . 1.0 113.328 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.2 p -114.99 -31.05 6.2 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.003 0.43 . . . . 1.0 110.141 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.63 70.81 1.19 Allowed Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.821 -0.704 . . . . 1.0 113.041 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.9 mt -152.82 106.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 1.0 110.905 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 113.71 21.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.051 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.493 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.8 m-85 -88.25 155.23 19.85 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -85.62 14.41 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.367 0.506 . . . . 1.0 112.367 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -165.21 157.83 13.6 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 1.0 111.777 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 71.6 Cg_endo -77.1 -43.88 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.94 2.427 . . . . 1.0 112.156 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 m -59.14 -31.69 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.334 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -65.44 -34.8 79.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.133 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.593 HD11 ' CB ' ' A' ' 9' ' ' PHE . 5.6 mt -60.66 -44.62 96.23 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.554 178.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.589 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -62.65 -30.95 71.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.007 179.324 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.55 -34.72 60.75 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.072 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.682 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 79.2 t60 -74.57 -49.46 21.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.478 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -14.47 63.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.25 -0.886 . . . . 1.0 110.436 178.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -74.87 -54.61 6.97 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.271 -0.422 . . . . 1.0 112.122 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -139.39 7.15 2.36 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.934 0.716 . . . . 1.0 112.934 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.682 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -94.5 -75.68 0.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.183 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.76 119.08 5.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 1.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.0 m 45.26 -168.11 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.406 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -120.56 88.11 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -80.45 136.88 36.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.74 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.205 -0.902 . . . . 1.0 111.097 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.478 ' HA3' ' HB2' ' A' ' 7' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.464 -0.254 . . . . 1.0 112.464 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t -173.63 144.18 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.322 . . . . 1.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.2 tp 62.26 122.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.35 -70.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 135.02 72.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.96 151.9 45.65 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.504 2.136 . . . . 1.0 112.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HB2' ' HA3' ' A' ' 1' ' ' GLY . . . -157.31 33.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.06 164.6 38.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' HB3' HD11 ' A' ' 24' ' ' LEU . 2.4 p90 -155.02 82.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.15 123.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.36 91.11 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.507 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -71.77 -45.05 12.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.81 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 63.6 Cg_exo -40.09 -34.5 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.717 2.278 . . . . 1.0 113.281 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.5 p -115.49 -28.99 6.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.017 0.437 . . . . 1.0 110.242 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.48 67.38 1.28 Allowed Glycine 0 N--CA 1.439 -1.121 0 C-N-CA 120.88 -0.676 . . . . 1.0 112.943 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.8 mt -151.55 107.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 1.0 111.075 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.01 113.25 21.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.059 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.5 m-85 -92.26 140.89 29.16 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -85.75 29.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.827 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.18 146.82 6.39 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-O 120.751 0.31 . . . . 1.0 111.572 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.436 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 73.6 Cg_endo -76.36 -45.62 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.793 2.329 . . . . 1.0 112.322 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -61.39 -34.02 74.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.215 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -63.16 -34.66 78.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.063 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.2 mt -60.26 -44.71 95.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.345 0.593 . . . . 1.0 109.655 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -64.09 -29.76 70.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.206 -0.906 . . . . 1.0 110.092 179.217 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.33 -35.42 61.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.724 -0.671 . . . . 1.0 109.834 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.54 ' O ' ' HB2' ' A' ' 31' ' ' TYR . 79.2 t60 -74.34 -49.14 24.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.068 -0.969 . . . . 1.0 109.267 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -14.22 62.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.152 -0.931 . . . . 1.0 110.886 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -85.19 -46.02 11.47 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.715 0.635 . . . . 1.0 112.715 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -128.48 -8.02 5.19 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.23 0.826 . . . . 1.0 113.23 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.54 ' HB2' ' O ' ' A' ' 27' ' ' HIS . 5.2 m-85 -94.87 -84.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.661 -0.415 . . . . 1.0 111.363 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 111.05 1.55 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.913 0.387 . . . . 1.0 110.873 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.85 118.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -84.87 57.01 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.11 147.86 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.223 -0.894 . . . . 1.0 111.101 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.104 0 N-CA-C 112.5 -0.24 . . . . 1.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m 62.88 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.71 0.29 . . . . 1.0 110.967 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.38 -178.68 6.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.62 -72.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 152.04 63.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 123.22 9.64 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.566 2.178 . . . . 1.0 112.245 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.48 -53.13 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.096 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -110.85 171.63 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.665 ' HB3' HD11 ' A' ' 24' ' ' LEU . 2.7 p90 -136.21 98.23 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.05 122.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.792 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -88.98 88.79 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -62.66 -44.81 87.67 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.855 -0.611 . . . . 1.0 111.847 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 57.2 Cg_exo -39.75 -38.03 1.66 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.807 2.338 . . . . 1.0 113.439 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.7 p -115.45 -29.22 6.59 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.927 0.394 . . . . 1.0 110.216 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.13 69.01 1.25 Allowed Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.871 -0.68 . . . . 1.0 112.96 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.5 mt -151.39 107.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 1.0 110.978 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.86 112.67 20.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.214 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.513 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 9.5 m-85 -88.21 145.76 25.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -85.64 24.17 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.403 0.52 . . . . 1.0 112.403 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -165.14 147.32 6.64 Favored Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.71 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.471 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 7.7 Cg_exo -72.48 -46.65 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.97 2.447 . . . . 1.0 112.275 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.52 -32.81 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.596 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -35.7 82.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.253 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 9' ' ' PHE . 4.0 mt -60.03 -44.62 94.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.27 0.557 . . . . 1.0 109.646 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.652 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -62.57 -30.53 71.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.111 179.298 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.29 -34.89 61.34 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.119 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.629 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 85.5 t60 -75.01 -49.5 19.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.189 -0.914 . . . . 1.0 109.496 179.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.43 -13.11 62.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.39 -0.823 . . . . 1.0 110.218 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -75.95 -54.31 7.07 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 112.239 0.459 . . . . 1.0 112.239 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -142.8 9.83 1.77 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.238 0.829 . . . . 1.0 113.238 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.629 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -94.39 -77.91 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.524 -0.47 . . . . 1.0 110.947 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 131.32 50.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 1.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.37 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -115.21 93.64 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -78.29 142.75 37.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.217 -0.897 . . . . 1.0 111.049 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.822 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.768 0.318 . . . . 1.0 110.868 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.822 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -138.62 154.15 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.907 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.0 29.87 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.58 102.67 0.59 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.812 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.05 138.51 44.09 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.432 2.088 . . . . 1.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.09 31.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.2 123.01 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.461 ' CB ' HD21 ' A' ' 24' ' ' LEU . 6.0 p90 -113.28 71.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.451 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 5.0 ttt -165.1 122.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.7 t -92.85 88.82 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.809 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.5 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -54.33 -45.62 99.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.27 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 32.0 Cg_exo -58.58 -14.47 21.35 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.534 2.156 . . . . 1.0 112.71 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.8 m -114.35 -29.45 6.89 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.99 0.424 . . . . 1.0 110.207 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.08 31.11 29.49 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.835 -0.698 . . . . 1.0 112.63 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 mt -127.84 110.36 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 1.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -89.07 119.01 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' HG22 ' A' ' 23' ' ' THR . 20.0 m-85 -85.01 -163.02 0.77 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.726 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.56 28.4 0.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 1.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.2 138.85 3.84 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.828 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 28.1 Cg_endo -62.54 -52.89 2.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.503 2.136 . . . . 1.0 112.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -58.48 -31.44 67.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.514 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' CD1' ' A' ' 18' ' ' PHE . 87.4 m -65.93 -38.05 87.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.297 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 9' ' ' PHE . 3.6 mt -58.23 -44.58 88.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.271 0.557 . . . . 1.0 109.689 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 2.7 tm-20 -62.28 -29.4 70.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.0 110.175 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.44 75.7 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.053 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.8 t60 -71.58 -50.35 31.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.395 -0.82 . . . . 1.0 109.486 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -15.47 63.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.456 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -73.06 -58.7 3.12 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.251 -0.431 . . . . 1.0 112.08 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -142.13 10.7 1.94 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.475 0.546 . . . . 1.0 112.475 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.546 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -102.17 -45.22 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.217 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -75.11 106.45 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.825 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m 45.42 -167.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.272 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -104.95 77.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -79.14 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.6 tt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.194 -0.907 . . . . 1.0 111.023 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.485 ' HB3' HD23 ' A' ' 3' ' ' LEU . 58.5 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.709 0.29 . . . . 1.0 111.102 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.485 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -138.81 173.74 11.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.922 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.18 32.34 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.96 126.16 0.83 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -74.1 72.45 4.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.393 2.062 . . . . 1.0 112.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.75 53.55 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.071 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 ttm-85 -152.68 124.08 7.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.79 55.15 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.423 ' HG3' ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -163.18 114.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.3 86.18 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -53.93 -45.98 98.73 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.315 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 34.0 Cg_exo -58.12 -14.71 20.15 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.484 2.123 . . . . 1.0 112.668 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 m -114.41 -28.99 7.02 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.982 0.42 . . . . 1.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.51 28.71 46.78 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.884 -0.674 . . . . 1.0 112.557 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.0 mt -125.08 107.03 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 1.0 110.861 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.423 ' CB ' ' HG3' ' A' ' 10' ' ' MET . . . -84.9 117.66 24.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.213 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 13.9 m-85 -85.58 -47.94 9.38 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m 58.01 40.55 25.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.311 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.527 ' H ' HD21 ' A' ' 24' ' ' LEU . 3.1 m -165.23 110.48 0.8 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.987 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.58 170.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.34 2.027 . . . . 1.0 112.142 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 69.38 -64.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.282 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -30.07 55.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.063 0.459 . . . . 1.0 110.01 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.527 HD21 ' H ' ' A' ' 20' ' ' SER . 6.6 mt -63.11 -44.69 94.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.377 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 4.0 tt0 -65.42 -27.41 68.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.147 -0.933 . . . . 1.0 110.057 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.41 90.22 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.966 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.575 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.1 t60 -69.07 -50.87 44.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.359 -0.837 . . . . 1.0 109.525 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -67.4 -13.03 61.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.329 -0.85 . . . . 1.0 110.592 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -76.19 -57.14 4.04 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.284 -0.416 . . . . 1.0 112.082 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -142.18 9.51 1.88 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.601 0.593 . . . . 1.0 112.601 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.575 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -101.61 -46.08 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.083 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.07 87.68 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.781 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.8 -170.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.937 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -110.94 80.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.827 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.8 ttm105 -79.03 127.76 32.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.791 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.275 -0.869 . . . . 1.0 111.045 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.584 ' HB3' HD23 ' A' ' 3' ' ' LEU . 60.1 m . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.754 0.311 . . . . 1.0 111.088 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -135.56 -177.6 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.86 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER 68.06 -72.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.945 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -94.66 139.97 22.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.34 -167.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.482 2.121 . . . . 1.0 112.223 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.01 -70.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.25 177.64 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.721 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -118.0 -159.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.655 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.444 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER 74.87 132.61 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.982 0.42 . . . . 1.0 111.279 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 t -94.63 90.15 6.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.573 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -50.35 -49.09 78.97 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.483 -179.642 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' A' ' 12' ' ' LEU . 83.9 Cg_endo -82.63 51.64 3.79 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.419 2.079 . . . . 1.0 112.464 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -157.47 -47.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.42 -25.63 9.64 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 121.069 -0.586 . . . . 1.0 112.72 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 17' ' ' ALA . 4.4 mt -84.11 157.93 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.745 0.307 . . . . 1.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' HG22 ' A' ' 16' ' ' ILE . . . -130.8 113.82 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.448 ' CE1' HG22 ' A' ' 23' ' ' THR . 33.6 m-85 -85.03 -167.9 2.01 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.905 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -154.68 28.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.624 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.21 141.33 4.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.741 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.38 -50.03 1.58 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.494 2.13 . . . . 1.0 112.544 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.7 p -58.27 -35.5 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.448 HG22 ' CE1' ' A' ' 18' ' ' PHE . 1.3 m -61.83 -41.71 98.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.421 . . . . 1.0 110.458 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' A' ' 9' ' ' PHE . 2.7 mt -56.7 -44.39 81.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.933 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -56.63 -32.28 65.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.439 -0.8 . . . . 1.0 110.32 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.11 66.6 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.912 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 72.4 t60 -73.84 -49.78 23.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.295 -0.866 . . . . 1.0 109.322 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.62 -17.49 64.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.177 -0.92 . . . . 1.0 110.274 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -70.07 -60.96 1.97 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.079 -0.509 . . . . 1.0 112.01 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -143.59 13.52 1.74 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.444 0.535 . . . . 1.0 112.444 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.507 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -103.64 -41.1 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.875 -0.33 . . . . 1.0 111.215 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.2 t -75.05 85.3 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.506 -0.315 . . . . 1.0 110.818 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 t 74.79 171.43 0.28 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -93.7 80.75 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -81.56 145.94 30.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.271 -0.871 . . . . 1.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.779 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.759 0.314 . . . . 1.0 110.973 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -135.14 177.02 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.983 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.523 HD23 HD12 ' A' ' 3' ' ' LEU . 2.0 mm? 64.45 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.982 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -72.27 145.08 87.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.84 129.3 32.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.508 2.139 . . . . 1.0 112.228 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.95 -48.51 10.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -133.95 174.41 10.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.468 ' CB ' HD11 ' A' ' 24' ' ' LEU . 5.3 p90 -127.5 76.39 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.696 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.477 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 18.3 ttt -165.31 127.38 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.5 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.58 85.92 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.769 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -55.29 -46.09 99.75 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.2 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 47.3 Cg_exo -56.15 -16.31 16.69 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.352 2.035 . . . . 1.0 112.406 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 m -112.49 -27.29 8.3 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.114 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.08 37.05 38.88 Favored Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 120.825 -0.702 . . . . 1.0 112.464 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.8 mt -137.03 105.97 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 1.0 111.046 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.477 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -84.92 122.4 29.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.539 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 13.5 m-85 -84.88 -179.99 7.2 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.423 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 t -85.25 -24.74 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 1.0 112.231 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.478 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -151.76 172.38 5.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.796 0.332 . . . . 1.0 111.786 -179.376 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 58.9 Cg_endo -72.66 -42.04 1.36 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.734 2.29 . . . . 1.0 112.538 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 m -56.04 -37.02 68.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.716 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.9 p -62.28 -36.53 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.147 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.508 ' HG ' ' HA ' ' A' ' 21' ' ' PRO . 5.6 mt -59.44 -44.56 92.91 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.937 -0.574 . . . . 1.0 109.544 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 9.6 tt0 -57.08 -32.24 66.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.306 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.14 -34.25 61.62 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.76 -0.654 . . . . 1.0 109.948 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 65.4 t60 -73.92 -52.07 14.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.285 -0.871 . . . . 1.0 109.3 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -18.98 63.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.197 -0.911 . . . . 1.0 110.233 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -68.01 -61.02 2.05 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.959 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -140.01 9.13 2.33 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.545 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -101.31 -43.39 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.918 -0.313 . . . . 1.0 111.218 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.17 109.41 8.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.597 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 m 45.42 -168.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.25 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -120.57 63.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -80.35 126.05 30.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.69 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.208 -0.901 . . . . 1.0 111.052 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.614 ' C ' HD23 ' A' ' 3' ' ' LEU . 1.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.707 0.289 . . . . 1.0 110.925 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.614 HD23 ' C ' ' A' ' 2' ' ' SER . 0.6 OUTLIER 48.02 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.432 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER 65.17 -74.15 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.014 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -99.78 143.54 26.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.1 175.95 9.8 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.519 2.146 . . . . 1.0 112.268 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.97 -43.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.4 mtp85 -75.36 125.95 30.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.85 ' HA ' HD11 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -111.26 68.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.839 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.559 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 35.5 ttm -165.21 124.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.564 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -84.66 86.05 7.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.648 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.58 -46.67 90.82 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.381 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 34.4 Cg_exo -57.66 -15.33 20.27 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.456 2.104 . . . . 1.0 112.661 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.4 m -115.28 -27.62 7.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.961 0.41 . . . . 1.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.84 34.04 39.88 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.911 -0.661 . . . . 1.0 112.541 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.6 mt -130.31 106.37 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.834 0.35 . . . . 1.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.559 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -84.97 120.22 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.616 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 15.1 m-85 -84.97 -174.93 5.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.457 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -28.72 25.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.911 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.453 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -162.28 167.03 13.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 1.0 111.61 -179.613 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 10.6 Cg_endo -54.02 -49.91 15.48 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.852 2.368 . . . . 1.0 112.397 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.15 -31.86 33.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.694 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -39.66 90.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.204 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.85 HD11 ' HA ' ' A' ' 9' ' ' PHE . 5.0 mt -58.5 -44.42 89.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.685 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 8.9 tt0 -52.35 -34.02 45.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.753 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.05 -33.11 61.69 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.206 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.573 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 70.3 t60 -74.66 -53.64 8.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.267 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -19.35 60.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.28 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -65.91 -58.64 5.11 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.947 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -139.12 3.11 2.16 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.028 0.751 . . . . 1.0 113.028 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.573 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 6.2 m-85 -94.88 -56.07 2.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.661 -0.416 . . . . 1.0 111.063 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.8 103.65 0.23 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 45.48 -170.64 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.508 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -105.27 68.96 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -81.24 131.74 35.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.185 -0.912 . . . . 1.0 111.021 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.772 0.32 . . . . 1.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.559 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -67.91 176.25 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.865 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.01 31.39 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.55 147.85 2.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.14 154.92 61.96 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.545 2.163 . . . . 1.0 112.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.43 141.04 7.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.42 125.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.044 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.844 ' HA ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -106.15 70.39 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.513 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.669 ' SD ' HD23 ' A' ' 12' ' ' LEU . 1.6 tmt? -165.3 132.66 2.97 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.22 86.13 7.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.669 HD23 ' SD ' ' A' ' 10' ' ' MET . 4.9 mt -49.92 -49.73 72.56 Favored Pre-proline 0 N--CA 1.463 0.19 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.314 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 2.2 Cg_endo -81.84 51.45 3.83 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.837 2.358 . . . . 1.0 111.855 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -161.02 -42.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.867 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.75 32.12 13.83 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.993 -0.622 . . . . 1.0 112.527 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.2 mt -141.06 98.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.78 0.324 . . . . 1.0 111.33 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -85.07 122.71 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.403 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 22.5 m-85 -84.75 -88.63 0.11 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.278 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m 174.91 -36.21 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.643 0.258 . . . . 1.0 111.574 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.408 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -139.49 166.13 26.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.681 0.277 . . . . 1.0 111.342 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 31.7 Cg_endo -64.01 -51.19 2.37 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.688 2.259 . . . . 1.0 112.373 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -39.23 60.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -41.15 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.261 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.844 HD11 ' HA ' ' A' ' 9' ' ' PHE . 2.8 mt -58.14 -44.13 87.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.315 0.579 . . . . 1.0 109.841 178.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.94 -36.34 17.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.292 -0.867 . . . . 1.0 110.612 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.62 -34.42 69.8 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.945 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 67.3 t60 -72.69 -54.36 9.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.356 -0.838 . . . . 1.0 109.251 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -19.87 54.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.26 178.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.08 -60.92 2.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.943 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -136.19 3.84 2.9 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.447 ' CD1' ' HA ' ' A' ' 27' ' ' HIS . 2.8 m-85 -96.34 -51.32 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.938 -0.305 . . . . 1.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.02 80.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.91 175.42 0.24 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -82.49 80.7 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -71.06 147.45 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.5 tt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.226 -0.892 . . . . 1.0 111.067 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.776 ' HB3' HD23 ' A' ' 3' ' ' LEU . 1.1 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.781 0.324 . . . . 1.0 110.951 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.7 OUTLIER -142.88 -177.31 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 69.76 -64.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -104.55 102.91 36.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.87 179.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.49 2.126 . . . . 1.0 112.295 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.06 38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.063 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -146.13 168.85 19.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.445 ' HB3' HD11 ' A' ' 24' ' ' LEU . 3.5 p90 -150.33 80.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.447 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -165.04 122.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.972 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 3.5 t -91.46 89.34 7.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 1.0 110.471 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.586 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.4 -48.65 85.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 1.0 112.191 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 29.7 Cg_endo -64.21 -7.63 14.34 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.25 1.967 . . . . 1.0 113.133 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 17.2 m -117.4 -30.5 5.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.992 0.425 . . . . 1.0 110.685 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.71 33.53 42.12 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.807 -0.711 . . . . 1.0 112.532 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.3 108.83 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 1.0 111.005 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB2' ' HG2' ' A' ' 10' ' ' MET . . . -85.12 115.96 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.175 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 11.9 m-85 -86.51 142.82 28.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.738 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.61 22.93 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.351 0.5 . . . . 1.0 112.351 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.432 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -165.14 143.58 5.28 Favored Pre-proline 0 C--N 1.332 -0.178 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.582 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 20' ' ' SER . 15.1 Cg_exo -68.24 -45.88 2.5 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.783 2.322 . . . . 1.0 112.15 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -32.86 68.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.394 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -34.28 78.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.147 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 6.0 mt -60.86 -44.63 96.74 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.284 0.564 . . . . 1.0 109.557 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 7.7 tt0 -63.53 -29.79 71.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.19 -0.914 . . . . 1.0 110.113 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.29 -35.21 61.33 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.674 -0.693 . . . . 1.0 109.938 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.445 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 68.6 t60 -75.06 -50.86 15.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.241 -0.891 . . . . 1.0 109.167 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -19.76 64.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.183 -0.917 . . . . 1.0 110.1 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -67.05 -62.55 1.37 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.829 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -148.03 19.46 1.12 Allowed 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.199 0.444 . . . . 1.0 112.199 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.445 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -110.18 -28.49 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.026 -0.269 . . . . 1.0 111.326 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.3 t -74.99 -40.09 60.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 1.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.36 158.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -75.39 69.3 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -74.88 152.66 38.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.766 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.191 -0.909 . . . . 1.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.84 0.353 . . . . 1.0 110.85 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.39 -174.59 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.804 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -172.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 77.65 131.88 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.663 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.19 125.54 12.04 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.508 2.138 . . . . 1.0 112.495 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.15 -36.37 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -120.18 177.29 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.757 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.43 84.53 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.06 122.46 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.0 85.54 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.571 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -52.16 -49.29 85.45 Favored Pre-proline 0 N--CA 1.463 0.184 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.15 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 4.5 Cg_exo -80.47 50.8 3.67 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.847 2.364 . . . . 1.0 112.109 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -157.83 -43.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.001 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.18 29.24 6.47 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 121.054 -0.593 . . . . 1.0 112.383 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mt -139.83 159.54 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.746 0.308 . . . . 1.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.31 113.85 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 7.2 m-85 -84.92 -171.2 3.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.951 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 m -154.82 30.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.11 128.46 1.65 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.041 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 52.3 Cg_exo -53.0 -56.04 3.16 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.673 2.249 . . . . 1.0 112.539 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -55.14 -37.29 66.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.91 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.424 HG22 ' CE2' ' A' ' 18' ' ' PHE . 2.1 m -62.79 -39.05 93.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 1.0 110.377 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD11 ' HB3' ' A' ' 9' ' ' PHE . 2.3 mt -58.0 -44.54 87.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.284 0.564 . . . . 1.0 109.839 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 3.8 tt0 -57.41 -31.41 65.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.482 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.02 76.42 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.239 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.591 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 83.3 t60 -73.45 -50.93 19.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.632 -0.713 . . . . 1.0 109.231 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.09 -18.08 59.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.387 -0.824 . . . . 1.0 110.132 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -66.12 -61.45 2.03 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.89 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -145.56 12.28 1.32 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.914 0.709 . . . . 1.0 112.914 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.591 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 26.7 m-85 -94.76 -55.83 2.98 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.45 103.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.012 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 45.39 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.344 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -98.09 79.71 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -66.22 160.8 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.511 HG23 ' OXT' ' A' ' 36' ' ' ILE . 3.5 tt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.21 -0.9 . . . . 1.0 111.047 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.89 0.376 . . . . 1.0 110.977 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -157.35 96.12 1.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.861 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -177.03 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.89 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.98 155.62 79.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.813 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.09 95.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.633 2.222 . . . . 1.0 112.031 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.01 -31.17 66.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.308 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -129.54 173.92 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.668 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -126.42 81.86 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.835 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.1 ttt -164.27 122.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.785 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 2.5 t -87.58 89.16 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 1.0 110.753 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.561 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 3.4 mt -50.66 -48.94 81.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.65 -0.704 . . . . 1.0 112.169 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 39.8 Cg_endo -68.09 -1.23 6.7 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.266 1.977 . . . . 1.0 113.576 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 5.4 m -119.23 -28.66 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 1.0 110.732 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.8 27.08 57.45 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.775 -0.726 . . . . 1.0 112.613 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.8 mt -125.8 102.55 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 1.0 110.986 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 119.45 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 4.3 m-30 -84.95 -162.99 0.76 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.687 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 m -154.48 28.31 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 1.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.425 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -164.48 150.32 9.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.564 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.93 -46.0 0.63 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.509 2.139 . . . . 1.0 112.418 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -35.72 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.766 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' A' ' 18' ' ' PHE . 12.8 p -62.16 -39.14 91.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.426 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 9' ' ' PHE . 3.9 mt -57.15 -44.68 83.67 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.328 0.585 . . . . 1.0 109.876 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.13 -28.26 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.374 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . -73.78 -36.08 65.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.229 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 79.1 t60 -73.84 -50.72 19.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.187 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -19.06 59.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.213 -0.903 . . . . 1.0 110.285 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.02 -61.93 1.86 Allowed 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.552 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -149.37 16.14 0.91 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.643 0.609 . . . . 1.0 112.643 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.535 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 3.5 m-85 -95.06 -45.09 7.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.726 0.298 . . . . 1.0 111.166 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -57.05 87.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.054 -179.688 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 t 45.2 -90.54 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.554 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' CYS . 66.9 m80 -155.0 108.78 2.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.789 0.328 . . . . 1.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -135.05 100.21 4.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.796 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.257 -0.877 . . . . 1.0 111.034 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.829 0.347 . . . . 1.0 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.591 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -64.96 -178.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.33 -74.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 141.39 40.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.798 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -74.45 165.35 31.92 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.455 2.103 . . . . 1.0 112.319 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.31 30.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.35 152.27 30.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.1 p90 -141.88 66.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.433 ' SD ' ' HB2' ' A' ' 17' ' ' ALA . 65.4 ttp -165.22 123.82 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 t -84.87 86.26 7.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.742 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -53.84 -45.91 98.68 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.338 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 35.9 Cg_exo -57.75 -14.87 19.02 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.435 2.09 . . . . 1.0 112.61 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.7 m -113.64 -29.18 7.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.045 0.45 . . . . 1.0 110.253 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.09 31.65 42.17 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.797 -0.716 . . . . 1.0 112.586 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.7 mt -130.39 105.4 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.433 ' HB2' ' SD ' ' A' ' 10' ' ' MET . . . -84.92 115.7 22.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.222 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 14.2 m-85 -85.28 -48.18 9.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.752 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 0.6 OUTLIER 69.66 48.21 0.61 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.252 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' SER . 37.8 t -165.14 102.15 0.79 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.209 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -60.87 76.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.687 2.258 . . . . 1.0 112.049 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.2 OUTLIER 175.98 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.266 -0.879 . . . . 1.0 108.692 -179.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -65.76 -28.79 69.29 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.558 -0.904 . . . . 1.0 108.558 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 24' ' ' LEU . 2.4 mt -62.45 -45.21 94.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.252 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -64.41 -29.21 70.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.202 -0.908 . . . . 1.0 109.797 178.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.43 61.42 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.848 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 70.2 t60 -71.77 -52.96 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.246 -0.888 . . . . 1.0 109.36 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -17.23 62.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.361 -0.836 . . . . 1.0 110.481 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -70.91 -59.45 2.79 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.98 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -142.7 12.46 1.89 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.504 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -104.89 -39.56 6.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.697 0.284 . . . . 1.0 111.205 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.06 102.53 4.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.805 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.39 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.354 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -100.32 87.46 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.823 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -96.56 134.09 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.807 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.246 -0.883 . . . . 1.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.735 0.303 . . . . 1.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -75.35 149.3 38.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.901 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.91 -76.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 110.99 13.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.78 151.52 68.95 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.453 2.102 . . . . 1.0 112.318 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.71 30.4 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -140.93 172.49 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.721 ' CB ' HD11 ' A' ' 24' ' ' LEU . 24.6 p90 -155.1 -171.3 3.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.815 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.7 ttp 75.8 132.41 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.07 89.13 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.558 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.445 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -54.39 -49.36 91.09 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.131 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 84.5 Cg_endo -81.99 53.7 4.7 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.526 2.151 . . . . 1.0 112.278 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.98 -46.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.908 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.03 -24.86 9.15 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.099 -0.572 . . . . 1.0 112.661 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 17' ' ' ALA . 2.7 mt -85.12 159.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 1.0 111.08 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.491 ' N ' HG22 ' A' ' 16' ' ' ILE . . . -139.22 112.2 7.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CE1' ' CG2' ' A' ' 23' ' ' THR . 40.3 m-85 -85.1 -170.06 2.95 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.89 28.81 0.42 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.081 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 1.6 t -165.22 148.53 7.16 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -83.95 44.92 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.856 2.371 . . . . 1.0 112.794 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.56 -48.39 0.47 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 1.0 109.596 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -61.56 -30.32 70.58 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 178.598 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD11 ' CB ' ' A' ' 9' ' ' PHE . 3.1 mt -62.45 -44.89 95.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.725 -0.67 . . . . 1.0 109.463 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -63.43 -31.24 72.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.207 -0.906 . . . . 1.0 109.61 178.659 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.58 -34.91 60.7 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.556 -0.747 . . . . 1.0 109.878 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 72.8 t60 -73.15 -51.13 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.16 -0.927 . . . . 1.0 109.549 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -16.93 64.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.245 178.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -70.69 -60.17 2.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.847 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -148.15 18.05 1.09 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.455 0.539 . . . . 1.0 112.455 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.515 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.35 -35.44 6.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.868 -0.333 . . . . 1.0 111.196 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -75.15 96.73 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 1.0 110.516 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 m 45.46 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.321 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -86.6 76.62 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.52 111.94 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.0 tt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.207 -0.902 . . . . 1.0 111.085 -179.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.821 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.718 0.294 . . . . 1.0 111.015 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.821 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.3 OUTLIER -134.98 176.38 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.927 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 65.33 -77.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -82.54 115.99 61.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.28 -176.12 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.351 2.034 . . . . 1.0 112.209 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.03 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.289 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.93 142.0 44.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.025 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.454 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -127.37 72.7 1.39 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.812 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.0 ttt -149.86 115.4 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.815 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.8 88.4 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -68.87 -44.92 31.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.849 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 70.8 Cg_exo -41.03 -31.84 0.84 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.737 2.292 . . . . 1.0 113.265 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.6 p -117.21 -27.65 6.4 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.927 0.394 . . . . 1.0 110.34 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.87 65.04 1.29 Allowed Glycine 0 N--CA 1.438 -1.178 0 C-N-CA 120.845 -0.693 . . . . 1.0 112.799 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.7 mt -149.65 118.79 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 1.0 111.042 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.62 109.23 20.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.094 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.447 ' HB2' HD22 ' A' ' 24' ' ' LEU . 8.0 m-85 -85.8 -163.95 0.95 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.692 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -154.43 32.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.239 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -163.1 107.96 1.01 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.43 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 82.4 Cg_exo -46.06 -56.96 2.47 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.679 2.253 . . . . 1.0 112.78 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -56.02 -38.79 71.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.0 m -61.72 -38.6 88.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.401 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 9' ' ' PHE . 2.0 mt -58.74 -44.38 90.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 1.0 109.945 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.57 -30.81 67.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.347 -0.842 . . . . 1.0 110.632 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.36 62.02 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.191 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' TYR . 58.8 t60 -72.6 -48.84 36.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.382 -0.826 . . . . 1.0 109.604 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -33.68 75.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.108 -0.951 . . . . 1.0 110.98 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.7 7.98 21.45 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -153.41 -36.02 0.11 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' HIS . 7.7 m-85 -94.39 -80.65 0.4 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.631 0.253 . . . . 1.0 111.466 -179.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.71 111.95 0.83 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 1.0 111.126 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.82 130.09 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -95.96 63.77 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.759 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -77.41 156.14 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.227 -0.892 . . . . 1.0 111.031 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.699 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.749 0.309 . . . . 1.0 110.95 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.699 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.6 OUTLIER -162.94 174.41 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.5 29.33 18.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.019 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.39 139.23 0.42 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.818 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.57 130.59 40.99 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 1.0 112.23 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.6 -61.88 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -136.39 167.83 20.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.629 ' HA ' HD11 ' A' ' 24' ' ' LEU . 9.9 p90 -102.8 86.49 2.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.516 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -165.09 122.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.781 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.487 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 3.8 t -84.94 88.34 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.083 0.468 . . . . 1.0 110.496 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.586 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -50.04 -49.02 77.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.652 -0.704 . . . . 1.0 112.119 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 31.3 Cg_endo -64.93 -6.75 13.36 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.298 1.999 . . . . 1.0 113.143 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 10.9 m -117.91 -28.29 5.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.905 0.383 . . . . 1.0 110.645 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.74 30.37 57.99 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.779 -0.725 . . . . 1.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.1 mt -128.83 111.68 23.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.732 0.301 . . . . 1.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.516 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -85.04 123.24 30.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.603 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.522 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 6.8 m-85 -89.05 -175.05 4.69 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.749 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.39 -26.8 26.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.904 -0.589 . . . . 1.0 112.373 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.544 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -165.04 173.99 3.4 Favored Pre-proline 0 CA--C 1.531 0.221 0 C-N-CA 120.892 -0.323 . . . . 1.0 111.76 -179.225 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.544 ' HD2' ' CB ' ' A' ' 20' ' ' SER . 31.1 Cg_endo -64.1 -48.58 4.8 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.715 2.277 . . . . 1.0 112.689 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.9 m -52.78 -39.41 62.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 p -61.97 -36.71 82.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 1.0 110.2 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.629 HD11 ' HA ' ' A' ' 9' ' ' PHE . 5.2 mt -59.73 -44.46 93.75 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.275 0.56 . . . . 1.0 109.497 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -52.51 -34.31 49.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.275 -0.875 . . . . 1.0 110.544 179.545 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.1 -33.23 61.6 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.101 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.568 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 65.9 t60 -73.88 -53.38 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.376 -0.829 . . . . 1.0 109.301 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -20.11 62.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.153 178.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -64.52 -60.63 2.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.834 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -142.72 7.81 1.69 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.585 0.587 . . . . 1.0 112.585 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -99.64 -39.62 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.048 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.09 70.79 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.783 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.69 161.64 0.25 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -75.14 76.43 2.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -81.21 164.03 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.23 -0.89 . . . . 1.0 111.046 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.51 ' OG ' HD23 ' A' ' 3' ' ' LEU . 48.0 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.791 0.329 . . . . 1.0 110.92 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.51 HD23 ' OG ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -135.98 147.57 48.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.875 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 60.66 30.56 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.2 101.84 0.49 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.756 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.21 148.92 75.63 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.434 2.089 . . . . 1.0 112.375 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.88 31.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -129.55 166.04 20.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -153.83 60.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.094 -179.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.449 ' HG2' ' HB1' ' A' ' 17' ' ' ALA . 20.2 mtt -160.83 117.65 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -86.47 85.63 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.75 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -52.4 -45.67 95.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.272 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 31.9 Cg_exo -58.59 -13.38 17.21 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.46 2.107 . . . . 1.0 112.65 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.574 ' HB3' HD12 ' A' ' 16' ' ' ILE . 27.7 m -115.48 -29.72 6.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.934 0.397 . . . . 1.0 110.17 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.8 -18.72 54.93 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.783 -0.722 . . . . 1.0 112.976 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.574 HD12 ' HB3' ' A' ' 14' ' ' CYS . 3.5 mt -79.01 127.03 39.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.801 0.334 . . . . 1.0 110.99 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB1' ' HG2' ' A' ' 10' ' ' MET . . . -109.39 116.64 32.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.514 ' CE1' HG21 ' A' ' 23' ' ' THR . 38.6 m-85 -85.07 -169.09 2.48 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.829 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t -154.78 34.94 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.1 t -165.15 139.35 4.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.986 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.4 50.73 3.63 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.68 2.253 . . . . 1.0 112.767 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -144.6 -49.31 0.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.742 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.514 HG21 ' CE1' ' A' ' 18' ' ' PHE . 26.8 m -63.11 -29.99 71.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 9' ' ' PHE . 3.0 mt -62.57 -44.88 95.21 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.747 -0.66 . . . . 1.0 109.416 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.612 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 7.5 tt0 -64.81 -29.97 70.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.236 -0.893 . . . . 1.0 109.724 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.45 -35.17 60.97 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.553 -0.748 . . . . 1.0 109.911 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.524 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 77.9 t60 -74.17 -47.93 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.264 -0.88 . . . . 1.0 109.717 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -13.68 62.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.462 -0.79 . . . . 1.0 110.104 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -74.17 -59.37 2.76 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.091 -0.504 . . . . 1.0 112.022 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -151.97 20.43 0.68 Allowed 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.524 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -107.04 -41.43 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.957 -0.297 . . . . 1.0 111.187 -179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.0 t -75.06 91.36 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 1.0 110.833 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t 74.81 175.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.796 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -102.11 83.91 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.968 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -102.28 132.87 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.75 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.184 -0.912 . . . . 1.0 111.123 -179.908 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.887 0.375 . . . . 1.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.574 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -65.0 -173.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 70.44 -64.57 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -97.63 108.41 45.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.17 92.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.423 2.082 . . . . 1.0 112.229 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.51 -48.94 36.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.51 141.93 31.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.612 ' CB ' HD11 ' A' ' 24' ' ' LEU . 13.4 p90 -124.96 94.7 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.01 123.1 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.818 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 t -86.35 88.05 7.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.795 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 3.4 mt -63.79 -44.95 81.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.87 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 62.9 Cg_exo -40.15 -37.67 1.89 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.791 2.328 . . . . 1.0 113.423 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -115.41 -31.48 5.91 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.985 0.421 . . . . 1.0 110.202 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.98 66.88 1.13 Allowed Glycine 0 N--CA 1.439 -1.126 0 C-N-CA 120.888 -0.672 . . . . 1.0 112.992 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.3 mt -147.29 104.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.738 0.304 . . . . 1.0 110.958 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.94 110.77 19.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 8.9 m-85 -90.33 144.44 25.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.81 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -85.7 31.0 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.385 . . . . 1.0 112.023 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.17 144.6 5.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.685 0.278 . . . . 1.0 111.458 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 67.8 Cg_endo -74.6 -45.64 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.668 2.245 . . . . 1.0 112.185 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.8 m -62.02 -32.17 72.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.222 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -65.04 -34.47 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.097 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.612 HD11 ' CB ' ' A' ' 9' ' ' PHE . 5.2 mt -60.32 -44.68 95.24 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.355 0.598 . . . . 1.0 109.565 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.664 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 1.3 tt0 -65.15 -29.09 69.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.197 -0.91 . . . . 1.0 110.048 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.52 -35.16 60.81 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.087 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.67 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.2 t60 -74.42 -50.38 18.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.259 -0.882 . . . . 1.0 109.451 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.15 -13.4 62.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.572 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -76.47 -54.8 6.21 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.035 0.383 . . . . 1.0 112.035 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -138.66 7.22 2.52 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.67 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -94.59 -71.83 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.633 -0.427 . . . . 1.0 111.23 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.03 119.19 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 1.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 t 45.35 -167.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.369 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -118.28 86.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -82.8 152.34 25.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.449 HG23 ' OXT' ' A' ' 36' ' ' ILE . 5.0 tt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.184 -0.912 . . . . 1.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.34 . . . . 1.0 111.014 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.473 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -66.61 141.57 57.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.855 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.09 149.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 62.49 129.38 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.971 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.02 153.63 52.38 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.457 2.105 . . . . 1.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.77 28.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.174 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -144.53 166.48 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.433 ' O ' ' CG ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -155.27 57.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.349 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.458 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 1.3 ttt -162.52 121.22 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 t -84.88 86.3 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.605 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.52 -48.6 86.16 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.155 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 4.1 Cg_exo -80.38 50.36 3.52 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.957 2.438 . . . . 1.0 112.181 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.38 -49.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.62 -19.18 12.77 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 121.028 -0.606 . . . . 1.0 112.792 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.733 HD11 ' CE1' ' A' ' 27' ' ' HIS . 15.7 pt -99.59 162.78 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 1.0 111.256 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -144.76 110.22 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.979 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.496 ' CE2' HD12 ' A' ' 16' ' ' ILE . 69.4 m-85 -84.78 126.2 33.22 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.002 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.41 40.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.558 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.22 147.93 6.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.688 0.28 . . . . 1.0 110.753 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 56.1 Cg_endo -70.65 -45.94 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.575 2.183 . . . . 1.0 112.592 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -59.07 -37.49 77.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -37.88 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.431 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' ' 21' ' ' PRO . 3.2 mt -57.87 -44.78 86.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.263 0.554 . . . . 1.0 109.826 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -65.17 -28.12 69.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.094 179.27 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 -35.13 61.48 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.168 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.733 ' CE1' HD11 ' A' ' 16' ' ' ILE . 85.6 t60 -74.47 -50.14 19.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.409 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -17.82 63.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 1.0 110.009 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -66.82 -61.56 1.89 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.068 -0.514 . . . . 1.0 111.977 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -145.31 12.98 1.39 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.0 0.741 . . . . 1.0 113.0 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.607 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 3.2 m-85 -94.68 -57.51 2.45 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.132 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 84.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.84 -177.4 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -111.33 84.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.97 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.54 179.94 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.253 -0.879 . . . . 1.0 111.078 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.53 ' HB3' HD23 ' A' ' 3' ' ' LEU . 70.0 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.782 0.325 . . . . 1.0 110.976 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -134.89 179.23 6.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.42 HD23 HD12 ' A' ' 3' ' ' LEU . 1.9 mm? 64.52 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.963 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -82.74 115.04 56.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.04 172.01 14.72 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.447 2.098 . . . . 1.0 112.27 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.95 39.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.84 158.34 44.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -144.59 73.7 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.727 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.409 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 4.4 mtt -165.01 122.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.731 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 t -97.23 92.48 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 3.3 mt -62.4 -44.93 89.35 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.902 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 59.8 Cg_exo -39.83 -39.67 2.24 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.799 2.333 . . . . 1.0 113.471 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.7 p -115.48 -31.29 5.95 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.066 0.46 . . . . 1.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.99 68.83 1.11 Allowed Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.815 -0.707 . . . . 1.0 112.974 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.4 mt -148.63 108.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.322 . . . . 1.0 110.997 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.409 ' HB2' ' HG2' ' A' ' 10' ' ' MET . . . -84.86 109.72 18.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.234 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.478 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.4 m-85 -88.57 142.26 27.85 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.774 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.85 30.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.939 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.12 147.2 6.6 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-O 120.713 0.292 . . . . 1.0 111.505 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 73.0 Cg_endo -76.69 -45.47 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.709 2.273 . . . . 1.0 112.324 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -61.47 -33.89 74.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.229 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.477 HG21 ' CD1' ' A' ' 18' ' ' PHE . 62.0 m -62.96 -34.43 77.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.058 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.1 mt -61.04 -44.6 97.15 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.641 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.673 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -62.66 -30.11 71.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.187 -0.915 . . . . 1.0 110.136 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 -34.92 61.48 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.15 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.717 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 84.3 t60 -75.12 -48.62 22.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.217 -0.901 . . . . 1.0 109.602 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -12.45 61.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.376 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -76.96 -55.38 5.51 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.306 -0.406 . . . . 1.0 112.017 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -141.67 10.83 2.05 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.875 0.694 . . . . 1.0 112.875 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.717 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -94.53 -72.47 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.636 -0.426 . . . . 1.0 111.146 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 106.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 1.0 110.806 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m 74.68 168.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -102.75 88.32 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.83 166.55 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.243 -0.884 . . . . 1.0 111.01 179.916 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.75 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.841 0.353 . . . . 1.0 111.021 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -135.0 -177.7 4.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.81 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.58 -75.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -97.02 147.1 32.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.43 -168.93 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.53 2.154 . . . . 1.0 112.259 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.69 -44.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.417 ' NH2' HD21 ' A' ' 12' ' ' LEU . 12.3 ttp180 -98.55 149.24 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.593 ' CB ' HD11 ' A' ' 24' ' ' LEU . 11.2 p90 -125.4 92.58 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.1 mtt -163.05 121.17 2.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -89.94 88.67 7.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.817 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -65.11 -44.91 72.01 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.9 -179.79 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 58.7 Cg_exo -39.71 -37.51 1.47 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.857 2.371 . . . . 1.0 113.328 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.2 p -114.99 -31.05 6.2 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.003 0.43 . . . . 1.0 110.141 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.63 70.81 1.19 Allowed Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.821 -0.704 . . . . 1.0 113.041 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.9 mt -152.82 106.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 1.0 110.905 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 113.71 21.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.051 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.493 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.8 m-85 -88.25 155.23 19.85 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -85.62 14.41 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.367 0.506 . . . . 1.0 112.367 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -165.21 157.83 13.6 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 1.0 111.777 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 71.6 Cg_endo -77.1 -43.88 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.94 2.427 . . . . 1.0 112.156 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 m -59.14 -31.69 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.334 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -65.44 -34.8 79.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.133 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.593 HD11 ' CB ' ' A' ' 9' ' ' PHE . 5.6 mt -60.66 -44.62 96.23 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.554 178.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.589 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -62.65 -30.95 71.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.007 179.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.55 -34.72 60.75 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.072 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.682 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 79.2 t60 -74.57 -49.46 21.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.478 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -14.47 63.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.25 -0.886 . . . . 1.0 110.436 178.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -74.87 -54.61 6.97 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.271 -0.422 . . . . 1.0 112.122 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -139.39 7.15 2.36 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.934 0.716 . . . . 1.0 112.934 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.682 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -94.5 -75.68 0.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.183 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.76 119.08 5.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 1.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.0 m 45.26 -168.11 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.406 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -120.56 88.11 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -80.45 136.88 36.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.74 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.205 -0.902 . . . . 1.0 111.097 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.775 0.322 . . . . 1.0 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.2 tp 62.26 122.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.35 -70.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 135.02 72.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.96 151.9 45.65 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.504 2.136 . . . . 1.0 112.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.31 33.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.06 164.6 38.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' HB3' HD11 ' A' ' 24' ' ' LEU . 2.4 p90 -155.02 82.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.15 123.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.36 91.11 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.507 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -71.77 -45.05 12.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.81 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 63.6 Cg_exo -40.09 -34.5 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.717 2.278 . . . . 1.0 113.281 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.5 p -115.49 -28.99 6.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.017 0.437 . . . . 1.0 110.242 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.48 67.38 1.28 Allowed Glycine 0 N--CA 1.439 -1.121 0 C-N-CA 120.88 -0.676 . . . . 1.0 112.943 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.8 mt -151.55 107.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 1.0 111.075 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.01 113.25 21.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.059 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.5 m-85 -92.26 140.89 29.16 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -85.75 29.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.827 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.18 146.82 6.39 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-O 120.751 0.31 . . . . 1.0 111.572 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.436 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 73.6 Cg_endo -76.36 -45.62 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.793 2.329 . . . . 1.0 112.322 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -61.39 -34.02 74.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.215 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -63.16 -34.66 78.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.063 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.2 mt -60.26 -44.71 95.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.345 0.593 . . . . 1.0 109.655 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -64.09 -29.76 70.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.206 -0.906 . . . . 1.0 110.092 179.217 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.33 -35.42 61.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.724 -0.671 . . . . 1.0 109.834 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.54 ' O ' ' HB2' ' A' ' 31' ' ' TYR . 79.2 t60 -74.34 -49.14 24.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.068 -0.969 . . . . 1.0 109.267 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -14.22 62.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.152 -0.931 . . . . 1.0 110.886 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -85.19 -46.02 11.47 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.715 0.635 . . . . 1.0 112.715 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -128.48 -8.02 5.19 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.23 0.826 . . . . 1.0 113.23 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.54 ' HB2' ' O ' ' A' ' 27' ' ' HIS . 5.2 m-85 -94.87 -84.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.661 -0.415 . . . . 1.0 111.363 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 111.05 1.55 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.913 0.387 . . . . 1.0 110.873 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.85 118.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -84.87 57.01 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.11 147.86 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.223 -0.894 . . . . 1.0 111.101 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.71 0.29 . . . . 1.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.38 -178.68 6.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.62 -72.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 152.04 63.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 123.22 9.64 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.566 2.178 . . . . 1.0 112.245 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.48 -53.13 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.096 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -110.85 171.63 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.665 ' HB3' HD11 ' A' ' 24' ' ' LEU . 2.7 p90 -136.21 98.23 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.05 122.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.792 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -88.98 88.79 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.506 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -62.66 -44.81 87.67 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.855 -0.611 . . . . 1.0 111.847 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 57.2 Cg_exo -39.75 -38.03 1.66 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.807 2.338 . . . . 1.0 113.439 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.7 p -115.45 -29.22 6.59 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.927 0.394 . . . . 1.0 110.216 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.13 69.01 1.25 Allowed Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.871 -0.68 . . . . 1.0 112.96 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.5 mt -151.39 107.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 1.0 110.978 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.86 112.67 20.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.214 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.513 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 9.5 m-85 -88.21 145.76 25.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -85.64 24.17 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.403 0.52 . . . . 1.0 112.403 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -165.14 147.32 6.64 Favored Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.71 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.471 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 7.7 Cg_exo -72.48 -46.65 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.97 2.447 . . . . 1.0 112.275 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.52 -32.81 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.596 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -35.7 82.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.253 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 9' ' ' PHE . 4.0 mt -60.03 -44.62 94.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.27 0.557 . . . . 1.0 109.646 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.652 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -62.57 -30.53 71.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.111 179.298 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.29 -34.89 61.34 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.119 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.629 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 85.5 t60 -75.01 -49.5 19.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.189 -0.914 . . . . 1.0 109.496 179.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.43 -13.11 62.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.39 -0.823 . . . . 1.0 110.218 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -75.95 -54.31 7.07 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 112.239 0.459 . . . . 1.0 112.239 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -142.8 9.83 1.77 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.238 0.829 . . . . 1.0 113.238 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.629 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -94.39 -77.91 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.524 -0.47 . . . . 1.0 110.947 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 131.32 50.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 1.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.37 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -115.21 93.64 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -78.29 142.75 37.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.217 -0.897 . . . . 1.0 111.049 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.499 -0.24 . . . . 1.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.822 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER 65.09 -78.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 1.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.822 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -138.62 154.15 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.907 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.0 29.87 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.58 102.67 0.59 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.812 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.05 138.51 44.09 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.432 2.088 . . . . 1.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.09 31.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.2 123.01 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.461 ' CB ' HD21 ' A' ' 24' ' ' LEU . 6.0 p90 -113.28 71.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.451 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 5.0 ttt -165.1 122.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.7 t -92.85 88.82 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.809 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -54.33 -45.62 99.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.27 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 32.0 Cg_exo -58.58 -14.47 21.35 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.534 2.156 . . . . 1.0 112.71 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.8 m -114.35 -29.45 6.89 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.99 0.424 . . . . 1.0 110.207 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.08 31.11 29.49 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.835 -0.698 . . . . 1.0 112.63 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 mt -127.84 110.36 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 1.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -89.07 119.01 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' HG22 ' A' ' 23' ' ' THR . 20.0 m-85 -85.01 -163.02 0.77 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.726 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.56 28.4 0.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 1.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.2 138.85 3.84 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.828 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 28.1 Cg_endo -62.54 -52.89 2.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.503 2.136 . . . . 1.0 112.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -58.48 -31.44 67.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.514 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' CD1' ' A' ' 18' ' ' PHE . 87.4 m -65.93 -38.05 87.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.297 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 9' ' ' PHE . 3.6 mt -58.23 -44.58 88.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.271 0.557 . . . . 1.0 109.689 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 2.7 tm-20 -62.28 -29.4 70.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.0 110.175 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.44 75.7 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.053 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.8 t60 -71.58 -50.35 31.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.395 -0.82 . . . . 1.0 109.486 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -15.47 63.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.456 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -73.06 -58.7 3.12 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.251 -0.431 . . . . 1.0 112.08 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -142.13 10.7 1.94 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.475 0.546 . . . . 1.0 112.475 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.546 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -102.17 -45.22 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.217 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -75.11 106.45 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.825 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m 45.42 -167.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.272 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -104.95 77.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -79.14 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.6 tt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.194 -0.907 . . . . 1.0 111.023 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.547 -0.221 . . . . 1.0 112.547 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.485 ' HB3' HD23 ' A' ' 3' ' ' LEU . 58.5 m 63.12 -79.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.709 0.29 . . . . 1.0 111.102 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.485 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -138.81 173.74 11.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.922 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.18 32.34 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.96 126.16 0.83 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -74.1 72.45 4.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.393 2.062 . . . . 1.0 112.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.75 53.55 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.071 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 ttm-85 -152.68 124.08 7.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.79 55.15 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.423 ' HG3' ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -163.18 114.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.3 86.18 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -53.93 -45.98 98.73 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.315 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 34.0 Cg_exo -58.12 -14.71 20.15 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.484 2.123 . . . . 1.0 112.668 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 m -114.41 -28.99 7.02 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.982 0.42 . . . . 1.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.51 28.71 46.78 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.884 -0.674 . . . . 1.0 112.557 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.0 mt -125.08 107.03 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 1.0 110.861 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.423 ' CB ' ' HG3' ' A' ' 10' ' ' MET . . . -84.9 117.66 24.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.213 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 13.9 m-85 -85.58 -47.94 9.38 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m 58.01 40.55 25.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.311 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.527 ' H ' HD21 ' A' ' 24' ' ' LEU . 3.1 m -165.23 110.48 0.8 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.987 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.58 170.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.34 2.027 . . . . 1.0 112.142 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 69.38 -64.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.282 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -30.07 55.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.063 0.459 . . . . 1.0 110.01 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.527 HD21 ' H ' ' A' ' 20' ' ' SER . 6.6 mt -63.11 -44.69 94.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.377 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 4.0 tt0 -65.42 -27.41 68.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.147 -0.933 . . . . 1.0 110.057 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.41 90.22 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.966 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.575 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.1 t60 -69.07 -50.87 44.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.359 -0.837 . . . . 1.0 109.525 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -67.4 -13.03 61.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.329 -0.85 . . . . 1.0 110.592 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -76.19 -57.14 4.04 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.284 -0.416 . . . . 1.0 112.082 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -142.18 9.51 1.88 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.601 0.593 . . . . 1.0 112.601 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.575 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -101.61 -46.08 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.083 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.07 87.68 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.781 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.8 -170.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.937 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -110.94 80.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.827 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.8 ttm105 -79.03 127.76 32.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.791 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.275 -0.869 . . . . 1.0 111.045 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.093 0 N-CA-C 112.513 -0.235 . . . . 1.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.584 ' HB3' HD23 ' A' ' 3' ' ' LEU . 60.1 m 63.04 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.311 . . . . 1.0 111.088 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -135.56 -177.6 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.86 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER 68.06 -72.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.945 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -94.66 139.97 22.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.34 -167.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.482 2.121 . . . . 1.0 112.223 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.01 -70.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.25 177.64 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.721 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -118.0 -159.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.655 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.444 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER 74.87 132.61 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.982 0.42 . . . . 1.0 111.279 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 t -94.63 90.15 6.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.573 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -50.35 -49.09 78.97 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.483 -179.642 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' A' ' 12' ' ' LEU . 83.9 Cg_endo -82.63 51.64 3.79 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.419 2.079 . . . . 1.0 112.464 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -157.47 -47.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.42 -25.63 9.64 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 121.069 -0.586 . . . . 1.0 112.72 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 17' ' ' ALA . 4.4 mt -84.11 157.93 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.745 0.307 . . . . 1.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' HG22 ' A' ' 16' ' ' ILE . . . -130.8 113.82 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.448 ' CE1' HG22 ' A' ' 23' ' ' THR . 33.6 m-85 -85.03 -167.9 2.01 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.905 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -154.68 28.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.624 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.21 141.33 4.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.741 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.38 -50.03 1.58 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.494 2.13 . . . . 1.0 112.544 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.7 p -58.27 -35.5 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.448 HG22 ' CE1' ' A' ' 18' ' ' PHE . 1.3 m -61.83 -41.71 98.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.421 . . . . 1.0 110.458 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' A' ' 9' ' ' PHE . 2.7 mt -56.7 -44.39 81.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.933 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -56.63 -32.28 65.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.439 -0.8 . . . . 1.0 110.32 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.11 66.6 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.912 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 72.4 t60 -73.84 -49.78 23.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.295 -0.866 . . . . 1.0 109.322 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.62 -17.49 64.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.177 -0.92 . . . . 1.0 110.274 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -70.07 -60.96 1.97 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.079 -0.509 . . . . 1.0 112.01 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -143.59 13.52 1.74 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.444 0.535 . . . . 1.0 112.444 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.507 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -103.64 -41.1 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.875 -0.33 . . . . 1.0 111.215 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.2 t -75.05 85.3 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.506 -0.315 . . . . 1.0 110.818 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 t 74.79 171.43 0.28 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -93.7 80.75 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -81.56 145.94 30.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.271 -0.871 . . . . 1.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.526 -0.23 . . . . 1.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.779 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER 68.0 -70.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.759 0.314 . . . . 1.0 110.973 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -135.14 177.02 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.983 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.523 HD23 HD12 ' A' ' 3' ' ' LEU . 2.0 mm? 64.45 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.982 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -72.27 145.08 87.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.84 129.3 32.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.508 2.139 . . . . 1.0 112.228 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.95 -48.51 10.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -133.95 174.41 10.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.468 ' CB ' HD11 ' A' ' 24' ' ' LEU . 5.3 p90 -127.5 76.39 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.696 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.477 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 18.3 ttt -165.31 127.38 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.5 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.58 85.92 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.769 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -55.29 -46.09 99.75 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.2 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 47.3 Cg_exo -56.15 -16.31 16.69 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.352 2.035 . . . . 1.0 112.406 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 m -112.49 -27.29 8.3 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.114 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.08 37.05 38.88 Favored Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 120.825 -0.702 . . . . 1.0 112.464 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.8 mt -137.03 105.97 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 1.0 111.046 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.477 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -84.92 122.4 29.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.539 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 13.5 m-85 -84.88 -179.99 7.2 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.423 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 t -85.25 -24.74 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 1.0 112.231 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.478 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -151.76 172.38 5.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.796 0.332 . . . . 1.0 111.786 -179.376 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 58.9 Cg_endo -72.66 -42.04 1.36 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.734 2.29 . . . . 1.0 112.538 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 m -56.04 -37.02 68.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.716 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.9 p -62.28 -36.53 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.147 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' HG ' ' HA ' ' A' ' 21' ' ' PRO . 5.6 mt -59.44 -44.56 92.91 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.937 -0.574 . . . . 1.0 109.544 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 9.6 tt0 -57.08 -32.24 66.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.306 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.14 -34.25 61.62 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.76 -0.654 . . . . 1.0 109.948 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 65.4 t60 -73.92 -52.07 14.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.285 -0.871 . . . . 1.0 109.3 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -18.98 63.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.197 -0.911 . . . . 1.0 110.233 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -68.01 -61.02 2.05 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.959 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -140.01 9.13 2.33 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.545 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -101.31 -43.39 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.918 -0.313 . . . . 1.0 111.218 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.17 109.41 8.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.597 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 m 45.42 -168.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.25 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -120.57 63.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -80.35 126.05 30.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.69 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.208 -0.901 . . . . 1.0 111.052 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.546 -0.222 . . . . 1.0 112.546 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.614 ' C ' HD23 ' A' ' 3' ' ' LEU . 1.4 t 59.92 95.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.707 0.289 . . . . 1.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.614 HD23 ' C ' ' A' ' 2' ' ' SER . 0.6 OUTLIER 48.02 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.432 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER 65.17 -74.15 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.014 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -99.78 143.54 26.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.1 175.95 9.8 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.519 2.146 . . . . 1.0 112.268 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.97 -43.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.4 mtp85 -75.36 125.95 30.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.85 ' HA ' HD11 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -111.26 68.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.839 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.559 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 35.5 ttm -165.21 124.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.564 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -84.66 86.05 7.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.648 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.58 -46.67 90.82 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.381 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 34.4 Cg_exo -57.66 -15.33 20.27 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.456 2.104 . . . . 1.0 112.661 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.4 m -115.28 -27.62 7.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.961 0.41 . . . . 1.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.84 34.04 39.88 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.911 -0.661 . . . . 1.0 112.541 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.6 mt -130.31 106.37 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.834 0.35 . . . . 1.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.559 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -84.97 120.22 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.616 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 15.1 m-85 -84.97 -174.93 5.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.457 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -28.72 25.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.911 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.453 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -162.28 167.03 13.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 1.0 111.61 -179.613 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 10.6 Cg_endo -54.02 -49.91 15.48 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.852 2.368 . . . . 1.0 112.397 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.15 -31.86 33.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.694 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -39.66 90.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.204 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.85 HD11 ' HA ' ' A' ' 9' ' ' PHE . 5.0 mt -58.5 -44.42 89.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.685 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 8.9 tt0 -52.35 -34.02 45.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.753 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.05 -33.11 61.69 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.206 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.573 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 70.3 t60 -74.66 -53.64 8.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.267 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -19.35 60.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.28 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -65.91 -58.64 5.11 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.947 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -139.12 3.11 2.16 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.028 0.751 . . . . 1.0 113.028 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.573 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 6.2 m-85 -94.88 -56.07 2.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.661 -0.416 . . . . 1.0 111.063 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.8 103.65 0.23 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 45.48 -170.64 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.508 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -105.27 68.96 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -81.24 131.74 35.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.185 -0.912 . . . . 1.0 111.021 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.435 -0.266 . . . . 1.0 112.435 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 60.64 170.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 1.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.559 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -67.91 176.25 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.865 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.01 31.39 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.55 147.85 2.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.14 154.92 61.96 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.545 2.163 . . . . 1.0 112.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.43 141.04 7.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.42 125.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.044 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.844 ' HA ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -106.15 70.39 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.513 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.669 ' SD ' HD23 ' A' ' 12' ' ' LEU . 1.6 tmt? -165.3 132.66 2.97 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.22 86.13 7.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.669 HD23 ' SD ' ' A' ' 10' ' ' MET . 4.9 mt -49.92 -49.73 72.56 Favored Pre-proline 0 N--CA 1.463 0.19 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.314 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 2.2 Cg_endo -81.84 51.45 3.83 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.837 2.358 . . . . 1.0 111.855 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -161.02 -42.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.867 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.75 32.12 13.83 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.993 -0.622 . . . . 1.0 112.527 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.2 mt -141.06 98.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.78 0.324 . . . . 1.0 111.33 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -85.07 122.71 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.403 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 22.5 m-85 -84.75 -88.63 0.11 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.278 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m 174.91 -36.21 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.643 0.258 . . . . 1.0 111.574 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.408 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -139.49 166.13 26.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.681 0.277 . . . . 1.0 111.342 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 31.7 Cg_endo -64.01 -51.19 2.37 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.688 2.259 . . . . 1.0 112.373 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -39.23 60.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -41.15 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.261 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.844 HD11 ' HA ' ' A' ' 9' ' ' PHE . 2.8 mt -58.14 -44.13 87.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.315 0.579 . . . . 1.0 109.841 178.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.94 -36.34 17.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.292 -0.867 . . . . 1.0 110.612 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.62 -34.42 69.8 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.945 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 67.3 t60 -72.69 -54.36 9.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.356 -0.838 . . . . 1.0 109.251 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -19.87 54.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.26 178.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.08 -60.92 2.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.943 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -136.19 3.84 2.9 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.447 ' CD1' ' HA ' ' A' ' 27' ' ' HIS . 2.8 m-85 -96.34 -51.32 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.938 -0.305 . . . . 1.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.02 80.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.91 175.42 0.24 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -82.49 80.7 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -71.06 147.45 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.5 tt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.226 -0.892 . . . . 1.0 111.067 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.51 -0.236 . . . . 1.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.776 ' HB3' HD23 ' A' ' 3' ' ' LEU . 1.1 m 63.86 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 1.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.7 OUTLIER -142.88 -177.31 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 69.76 -64.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -104.55 102.91 36.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.87 179.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.49 2.126 . . . . 1.0 112.295 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.06 38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.063 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -146.13 168.85 19.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.445 ' HB3' HD11 ' A' ' 24' ' ' LEU . 3.5 p90 -150.33 80.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.447 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -165.04 122.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.972 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 3.5 t -91.46 89.34 7.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 1.0 110.471 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.586 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.4 -48.65 85.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 1.0 112.191 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 29.7 Cg_endo -64.21 -7.63 14.34 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.25 1.967 . . . . 1.0 113.133 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 17.2 m -117.4 -30.5 5.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.992 0.425 . . . . 1.0 110.685 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.71 33.53 42.12 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.807 -0.711 . . . . 1.0 112.532 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.3 108.83 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 1.0 111.005 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB2' ' HG2' ' A' ' 10' ' ' MET . . . -85.12 115.96 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.175 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 11.9 m-85 -86.51 142.82 28.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.738 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.61 22.93 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.351 0.5 . . . . 1.0 112.351 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.432 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -165.14 143.58 5.28 Favored Pre-proline 0 C--N 1.332 -0.178 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.582 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 20' ' ' SER . 15.1 Cg_exo -68.24 -45.88 2.5 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.783 2.322 . . . . 1.0 112.15 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -32.86 68.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.394 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -34.28 78.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.147 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 6.0 mt -60.86 -44.63 96.74 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.284 0.564 . . . . 1.0 109.557 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 7.7 tt0 -63.53 -29.79 71.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.19 -0.914 . . . . 1.0 110.113 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.29 -35.21 61.33 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.674 -0.693 . . . . 1.0 109.938 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.445 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 68.6 t60 -75.06 -50.86 15.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.241 -0.891 . . . . 1.0 109.167 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -19.76 64.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.183 -0.917 . . . . 1.0 110.1 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -67.05 -62.55 1.37 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.829 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -148.03 19.46 1.12 Allowed 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.199 0.444 . . . . 1.0 112.199 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.445 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -110.18 -28.49 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.026 -0.269 . . . . 1.0 111.326 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.3 t -74.99 -40.09 60.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 1.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.36 158.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -75.39 69.3 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -74.88 152.66 38.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.766 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.191 -0.909 . . . . 1.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.561 -0.216 . . . . 1.0 112.561 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.11 -50.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 1.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.39 -174.59 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.804 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -172.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 77.65 131.88 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.663 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.19 125.54 12.04 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.508 2.138 . . . . 1.0 112.495 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.15 -36.37 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -120.18 177.29 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.757 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.43 84.53 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.06 122.46 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.0 85.54 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.571 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -52.16 -49.29 85.45 Favored Pre-proline 0 N--CA 1.463 0.184 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.15 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 4.5 Cg_exo -80.47 50.8 3.67 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.847 2.364 . . . . 1.0 112.109 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -157.83 -43.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.001 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.18 29.24 6.47 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 121.054 -0.593 . . . . 1.0 112.383 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mt -139.83 159.54 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.746 0.308 . . . . 1.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.31 113.85 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 7.2 m-85 -84.92 -171.2 3.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.951 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 m -154.82 30.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.11 128.46 1.65 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.041 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 52.3 Cg_exo -53.0 -56.04 3.16 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.673 2.249 . . . . 1.0 112.539 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -55.14 -37.29 66.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.91 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.424 HG22 ' CE2' ' A' ' 18' ' ' PHE . 2.1 m -62.79 -39.05 93.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 1.0 110.377 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD11 ' HB3' ' A' ' 9' ' ' PHE . 2.3 mt -58.0 -44.54 87.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.284 0.564 . . . . 1.0 109.839 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 3.8 tt0 -57.41 -31.41 65.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.482 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.02 76.42 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.239 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.591 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 83.3 t60 -73.45 -50.93 19.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.632 -0.713 . . . . 1.0 109.231 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.09 -18.08 59.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.387 -0.824 . . . . 1.0 110.132 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -66.12 -61.45 2.03 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.89 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -145.56 12.28 1.32 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.914 0.709 . . . . 1.0 112.914 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.591 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 26.7 m-85 -94.76 -55.83 2.98 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.45 103.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.012 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 45.39 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.344 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -98.09 79.71 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -66.22 160.8 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.511 HG23 ' OXT' ' A' ' 36' ' ' ILE . 3.5 tt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.21 -0.9 . . . . 1.0 111.047 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.464 -0.254 . . . . 1.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.46 -54.48 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 1.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -157.35 96.12 1.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.861 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -177.03 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.89 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.98 155.62 79.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.813 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.09 95.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.633 2.222 . . . . 1.0 112.031 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.01 -31.17 66.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.308 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -129.54 173.92 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.668 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -126.42 81.86 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.835 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.1 ttt -164.27 122.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.785 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 2.5 t -87.58 89.16 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 1.0 110.753 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.561 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 3.4 mt -50.66 -48.94 81.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.65 -0.704 . . . . 1.0 112.169 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 39.8 Cg_endo -68.09 -1.23 6.7 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.266 1.977 . . . . 1.0 113.576 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 5.4 m -119.23 -28.66 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 1.0 110.732 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.8 27.08 57.45 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.775 -0.726 . . . . 1.0 112.613 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.8 mt -125.8 102.55 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 1.0 110.986 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 119.45 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 4.3 m-30 -84.95 -162.99 0.76 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.687 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 m -154.48 28.31 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 1.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.425 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -164.48 150.32 9.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.564 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.93 -46.0 0.63 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.509 2.139 . . . . 1.0 112.418 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -35.72 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.766 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' A' ' 18' ' ' PHE . 12.8 p -62.16 -39.14 91.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.426 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 9' ' ' PHE . 3.9 mt -57.15 -44.68 83.67 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.328 0.585 . . . . 1.0 109.876 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.13 -28.26 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.374 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . -73.78 -36.08 65.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.229 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 79.1 t60 -73.84 -50.72 19.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.187 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -19.06 59.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.213 -0.903 . . . . 1.0 110.285 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.02 -61.93 1.86 Allowed 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.552 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -149.37 16.14 0.91 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.643 0.609 . . . . 1.0 112.643 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.535 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 3.5 m-85 -95.06 -45.09 7.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.726 0.298 . . . . 1.0 111.166 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -57.05 87.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.054 -179.688 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 t 45.2 -90.54 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.554 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' CYS . 66.9 m80 -155.0 108.78 2.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.789 0.328 . . . . 1.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -135.05 100.21 4.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.796 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.257 -0.877 . . . . 1.0 111.034 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.466 ' HA2' ' HB2' ' A' ' 7' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.505 -0.238 . . . . 1.0 112.505 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m 60.15 -171.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 1.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.591 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -64.96 -178.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.33 -74.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 141.39 40.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.798 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -74.45 165.35 31.92 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.455 2.103 . . . . 1.0 112.319 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HB2' ' HA2' ' A' ' 1' ' ' GLY . . . -161.31 30.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.084 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.35 152.27 30.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.1 p90 -141.88 66.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.433 ' SD ' ' HB2' ' A' ' 17' ' ' ALA . 65.4 ttp -165.22 123.82 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 t -84.87 86.26 7.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.742 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -53.84 -45.91 98.68 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.338 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 35.9 Cg_exo -57.75 -14.87 19.02 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.435 2.09 . . . . 1.0 112.61 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.7 m -113.64 -29.18 7.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.045 0.45 . . . . 1.0 110.253 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.09 31.65 42.17 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.797 -0.716 . . . . 1.0 112.586 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.7 mt -130.39 105.4 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.433 ' HB2' ' SD ' ' A' ' 10' ' ' MET . . . -84.92 115.7 22.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.222 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 14.2 m-85 -85.28 -48.18 9.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.752 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 0.6 OUTLIER 69.66 48.21 0.61 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.252 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' SER . 37.8 t -165.14 102.15 0.79 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.209 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -60.87 76.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.687 2.258 . . . . 1.0 112.049 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.2 OUTLIER 175.98 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.266 -0.879 . . . . 1.0 108.692 -179.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -65.76 -28.79 69.29 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.558 -0.904 . . . . 1.0 108.558 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 24' ' ' LEU . 2.4 mt -62.45 -45.21 94.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.252 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -64.41 -29.21 70.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.202 -0.908 . . . . 1.0 109.797 178.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.43 61.42 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.848 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 70.2 t60 -71.77 -52.96 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.246 -0.888 . . . . 1.0 109.36 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -17.23 62.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.361 -0.836 . . . . 1.0 110.481 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -70.91 -59.45 2.79 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.98 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -142.7 12.46 1.89 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.504 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -104.89 -39.56 6.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.697 0.284 . . . . 1.0 111.205 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.06 102.53 4.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.805 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.39 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.354 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -100.32 87.46 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.823 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -96.56 134.09 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.807 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.246 -0.883 . . . . 1.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.519 -0.232 . . . . 1.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m 63.09 -79.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.735 0.303 . . . . 1.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -75.35 149.3 38.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.901 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.91 -76.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 110.99 13.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.78 151.52 68.95 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.453 2.102 . . . . 1.0 112.318 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.71 30.4 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -140.93 172.49 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.721 ' CB ' HD11 ' A' ' 24' ' ' LEU . 24.6 p90 -155.1 -171.3 3.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.815 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.7 ttp 75.8 132.41 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.07 89.13 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.558 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -54.39 -49.36 91.09 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.131 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 84.5 Cg_endo -81.99 53.7 4.7 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.526 2.151 . . . . 1.0 112.278 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.98 -46.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.908 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.03 -24.86 9.15 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.099 -0.572 . . . . 1.0 112.661 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 17' ' ' ALA . 2.7 mt -85.12 159.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 1.0 111.08 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.491 ' N ' HG22 ' A' ' 16' ' ' ILE . . . -139.22 112.2 7.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CE1' ' CG2' ' A' ' 23' ' ' THR . 40.3 m-85 -85.1 -170.06 2.95 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.89 28.81 0.42 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.081 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 1.6 t -165.22 148.53 7.16 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -83.95 44.92 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.856 2.371 . . . . 1.0 112.794 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.56 -48.39 0.47 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 1.0 109.596 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -61.56 -30.32 70.58 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 178.598 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD11 ' CB ' ' A' ' 9' ' ' PHE . 3.1 mt -62.45 -44.89 95.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.725 -0.67 . . . . 1.0 109.463 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -63.43 -31.24 72.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.207 -0.906 . . . . 1.0 109.61 178.659 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.58 -34.91 60.7 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.556 -0.747 . . . . 1.0 109.878 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 72.8 t60 -73.15 -51.13 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.16 -0.927 . . . . 1.0 109.549 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -16.93 64.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.245 178.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -70.69 -60.17 2.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.847 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -148.15 18.05 1.09 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.455 0.539 . . . . 1.0 112.455 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.515 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.35 -35.44 6.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.868 -0.333 . . . . 1.0 111.196 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 t -75.15 96.73 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 1.0 110.516 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 m 45.46 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.321 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -86.6 76.62 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.52 111.94 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.0 tt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.207 -0.902 . . . . 1.0 111.085 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.542 -0.223 . . . . 1.0 112.542 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.821 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.7 OUTLIER 64.37 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.718 0.294 . . . . 1.0 111.015 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.821 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.3 OUTLIER -134.98 176.38 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.927 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 65.33 -77.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -82.54 115.99 61.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.28 -176.12 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.351 2.034 . . . . 1.0 112.209 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.03 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.289 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.93 142.0 44.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.025 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.454 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -127.37 72.7 1.39 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.812 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.0 ttt -149.86 115.4 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.815 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.8 88.4 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -68.87 -44.92 31.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.849 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 70.8 Cg_exo -41.03 -31.84 0.84 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.737 2.292 . . . . 1.0 113.265 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.6 p -117.21 -27.65 6.4 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.927 0.394 . . . . 1.0 110.34 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.87 65.04 1.29 Allowed Glycine 0 N--CA 1.438 -1.178 0 C-N-CA 120.845 -0.693 . . . . 1.0 112.799 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.7 mt -149.65 118.79 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 1.0 111.042 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.62 109.23 20.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.094 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.447 ' HB2' HD22 ' A' ' 24' ' ' LEU . 8.0 m-85 -85.8 -163.95 0.95 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.692 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -154.43 32.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.239 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -163.1 107.96 1.01 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.43 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 82.4 Cg_exo -46.06 -56.96 2.47 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.679 2.253 . . . . 1.0 112.78 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -56.02 -38.79 71.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.0 m -61.72 -38.6 88.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.401 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 9' ' ' PHE . 2.0 mt -58.74 -44.38 90.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 1.0 109.945 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.57 -30.81 67.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.347 -0.842 . . . . 1.0 110.632 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.36 62.02 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.191 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' TYR . 58.8 t60 -72.6 -48.84 36.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.382 -0.826 . . . . 1.0 109.604 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -33.68 75.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.108 -0.951 . . . . 1.0 110.98 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.7 7.98 21.45 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -153.41 -36.02 0.11 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' HIS . 7.7 m-85 -94.39 -80.65 0.4 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.631 0.253 . . . . 1.0 111.466 -179.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.71 111.95 0.83 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 1.0 111.126 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.82 130.09 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -95.96 63.77 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.759 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -77.41 156.14 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.227 -0.892 . . . . 1.0 111.031 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.454 -0.259 . . . . 1.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.699 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.6 OUTLIER 64.58 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.749 0.309 . . . . 1.0 110.95 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.699 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.6 OUTLIER -162.94 174.41 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.5 29.33 18.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.019 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.39 139.23 0.42 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.818 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.57 130.59 40.99 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 1.0 112.23 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.6 -61.88 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -136.39 167.83 20.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.629 ' HA ' HD11 ' A' ' 24' ' ' LEU . 9.9 p90 -102.8 86.49 2.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.516 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -165.09 122.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.781 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.487 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 3.8 t -84.94 88.34 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.083 0.468 . . . . 1.0 110.496 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.586 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -50.04 -49.02 77.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.652 -0.704 . . . . 1.0 112.119 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 31.3 Cg_endo -64.93 -6.75 13.36 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.298 1.999 . . . . 1.0 113.143 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 10.9 m -117.91 -28.29 5.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.905 0.383 . . . . 1.0 110.645 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.74 30.37 57.99 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.779 -0.725 . . . . 1.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.1 mt -128.83 111.68 23.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.732 0.301 . . . . 1.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.516 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -85.04 123.24 30.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.603 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.522 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 6.8 m-85 -89.05 -175.05 4.69 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.749 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.39 -26.8 26.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.904 -0.589 . . . . 1.0 112.373 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.544 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -165.04 173.99 3.4 Favored Pre-proline 0 CA--C 1.531 0.221 0 C-N-CA 120.892 -0.323 . . . . 1.0 111.76 -179.225 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.544 ' HD2' ' CB ' ' A' ' 20' ' ' SER . 31.1 Cg_endo -64.1 -48.58 4.8 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.715 2.277 . . . . 1.0 112.689 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.9 m -52.78 -39.41 62.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 p -61.97 -36.71 82.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 1.0 110.2 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.629 HD11 ' HA ' ' A' ' 9' ' ' PHE . 5.2 mt -59.73 -44.46 93.75 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.275 0.56 . . . . 1.0 109.497 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -52.51 -34.31 49.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.275 -0.875 . . . . 1.0 110.544 179.545 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.1 -33.23 61.6 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.101 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.568 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 65.9 t60 -73.88 -53.38 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.376 -0.829 . . . . 1.0 109.301 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -20.11 62.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.153 178.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -64.52 -60.63 2.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.834 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -142.72 7.81 1.69 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.585 0.587 . . . . 1.0 112.585 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -99.64 -39.62 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.048 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.09 70.79 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.783 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.69 161.64 0.25 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -75.14 76.43 2.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -81.21 164.03 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.23 -0.89 . . . . 1.0 111.046 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.489 -0.244 . . . . 1.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.51 ' OG ' HD23 ' A' ' 3' ' ' LEU . 48.0 t -164.62 -63.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 1.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.51 HD23 ' OG ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -135.98 147.57 48.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.875 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 60.66 30.56 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.2 101.84 0.49 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.756 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.21 148.92 75.63 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.434 2.089 . . . . 1.0 112.375 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.88 31.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -129.55 166.04 20.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -153.83 60.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.094 -179.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.449 ' HG2' ' HB1' ' A' ' 17' ' ' ALA . 20.2 mtt -160.83 117.65 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -86.47 85.63 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.75 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -52.4 -45.67 95.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.272 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 31.9 Cg_exo -58.59 -13.38 17.21 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.46 2.107 . . . . 1.0 112.65 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.574 ' HB3' HD12 ' A' ' 16' ' ' ILE . 27.7 m -115.48 -29.72 6.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.934 0.397 . . . . 1.0 110.17 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.8 -18.72 54.93 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.783 -0.722 . . . . 1.0 112.976 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.574 HD12 ' HB3' ' A' ' 14' ' ' CYS . 3.5 mt -79.01 127.03 39.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.801 0.334 . . . . 1.0 110.99 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB1' ' HG2' ' A' ' 10' ' ' MET . . . -109.39 116.64 32.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.514 ' CE1' HG21 ' A' ' 23' ' ' THR . 38.6 m-85 -85.07 -169.09 2.48 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.829 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t -154.78 34.94 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.1 t -165.15 139.35 4.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.986 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.4 50.73 3.63 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.68 2.253 . . . . 1.0 112.767 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -144.6 -49.31 0.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.742 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.514 HG21 ' CE1' ' A' ' 18' ' ' PHE . 26.8 m -63.11 -29.99 71.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 9' ' ' PHE . 3.0 mt -62.57 -44.88 95.21 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.747 -0.66 . . . . 1.0 109.416 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.612 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 7.5 tt0 -64.81 -29.97 70.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.236 -0.893 . . . . 1.0 109.724 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.45 -35.17 60.97 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.553 -0.748 . . . . 1.0 109.911 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 77.9 t60 -74.17 -47.93 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.264 -0.88 . . . . 1.0 109.717 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -13.68 62.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.462 -0.79 . . . . 1.0 110.104 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -74.17 -59.37 2.76 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.091 -0.504 . . . . 1.0 112.022 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -151.97 20.43 0.68 Allowed 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.524 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -107.04 -41.43 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.957 -0.297 . . . . 1.0 111.187 -179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.0 t -75.06 91.36 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 1.0 110.833 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t 74.81 175.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.796 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -102.11 83.91 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.968 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -102.28 132.87 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.75 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.184 -0.912 . . . . 1.0 111.123 -179.908 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.516 ' HA2' ' HB2' ' A' ' 7' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.48 -0.248 . . . . 1.0 112.48 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.88 -175.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 1.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.574 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -65.0 -173.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 70.44 -64.57 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -97.63 108.41 45.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.17 92.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.423 2.082 . . . . 1.0 112.229 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.516 ' HB2' ' HA2' ' A' ' 1' ' ' GLY . . . -72.51 -48.94 36.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.51 141.93 31.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.612 ' CB ' HD11 ' A' ' 24' ' ' LEU . 13.4 p90 -124.96 94.7 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.01 123.1 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.818 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 t -86.35 88.05 7.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.795 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 3.4 mt -63.79 -44.95 81.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.87 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 62.9 Cg_exo -40.15 -37.67 1.89 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.791 2.328 . . . . 1.0 113.423 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -115.41 -31.48 5.91 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.985 0.421 . . . . 1.0 110.202 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.98 66.88 1.13 Allowed Glycine 0 N--CA 1.439 -1.126 0 C-N-CA 120.888 -0.672 . . . . 1.0 112.992 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.3 mt -147.29 104.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.738 0.304 . . . . 1.0 110.958 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.94 110.77 19.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 8.9 m-85 -90.33 144.44 25.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.81 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -85.7 31.0 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.385 . . . . 1.0 112.023 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.17 144.6 5.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.685 0.278 . . . . 1.0 111.458 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 67.8 Cg_endo -74.6 -45.64 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.668 2.245 . . . . 1.0 112.185 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.8 m -62.02 -32.17 72.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.222 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -65.04 -34.47 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.097 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.612 HD11 ' CB ' ' A' ' 9' ' ' PHE . 5.2 mt -60.32 -44.68 95.24 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.355 0.598 . . . . 1.0 109.565 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.664 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 1.3 tt0 -65.15 -29.09 69.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.197 -0.91 . . . . 1.0 110.048 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.52 -35.16 60.81 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.087 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.67 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 75.2 t60 -74.42 -50.38 18.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.259 -0.882 . . . . 1.0 109.451 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.15 -13.4 62.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.572 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -76.47 -54.8 6.21 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.035 0.383 . . . . 1.0 112.035 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -138.66 7.22 2.52 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.67 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -94.59 -71.83 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.633 -0.427 . . . . 1.0 111.23 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.03 119.19 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 1.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 t 45.35 -167.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.369 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -118.28 86.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -82.8 152.34 25.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.449 HG23 ' OXT' ' A' ' 36' ' ' ILE . 5.0 tt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.184 -0.912 . . . . 1.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.483 -0.247 . . . . 1.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.35 -78.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 1.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.473 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -66.61 141.57 57.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.855 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.09 149.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 62.49 129.38 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.971 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.02 153.63 52.38 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.457 2.105 . . . . 1.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.77 28.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.174 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -144.53 166.48 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.433 ' O ' ' CG ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -155.27 57.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.349 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.458 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 1.3 ttt -162.52 121.22 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 t -84.88 86.3 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.605 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -51.52 -48.6 86.16 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.155 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 12' ' ' LEU . 4.1 Cg_exo -80.38 50.36 3.52 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.957 2.438 . . . . 1.0 112.181 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.38 -49.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.62 -19.18 12.77 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 121.028 -0.606 . . . . 1.0 112.792 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.733 HD11 ' CE1' ' A' ' 27' ' ' HIS . 15.7 pt -99.59 162.78 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 1.0 111.256 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' A' ' 10' ' ' MET . . . -144.76 110.22 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.979 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.496 ' CE2' HD12 ' A' ' 16' ' ' ILE . 69.4 m-85 -84.78 126.2 33.22 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.002 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.41 40.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.558 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.22 147.93 6.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.688 0.28 . . . . 1.0 110.753 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 56.1 Cg_endo -70.65 -45.94 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.575 2.183 . . . . 1.0 112.592 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -59.07 -37.49 77.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -37.88 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.431 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' ' 21' ' ' PRO . 3.2 mt -57.87 -44.78 86.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.263 0.554 . . . . 1.0 109.826 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -65.17 -28.12 69.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.094 179.27 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 -35.13 61.48 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.168 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.733 ' CE1' HD11 ' A' ' 16' ' ' ILE . 85.6 t60 -74.47 -50.14 19.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.409 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -17.82 63.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 1.0 110.009 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -66.82 -61.56 1.89 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.068 -0.514 . . . . 1.0 111.977 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -145.31 12.98 1.39 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.0 0.741 . . . . 1.0 113.0 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.607 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 3.2 m-85 -94.68 -57.51 2.45 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.132 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 84.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.84 -177.4 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -111.33 84.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.97 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.54 179.94 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.253 -0.879 . . . . 1.0 111.078 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.479 -0.249 . . . . 1.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.53 ' HB3' HD23 ' A' ' 3' ' ' LEU . 70.0 m 63.7 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.782 0.325 . . . . 1.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -134.89 179.23 6.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD23 HD12 ' A' ' 3' ' ' LEU . 1.9 mm? 64.52 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.963 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -82.74 115.04 56.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.04 172.01 14.72 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.447 2.098 . . . . 1.0 112.27 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.95 39.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.84 158.34 44.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -144.59 73.7 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.727 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.409 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 4.4 mtt -165.01 122.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.731 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 t -97.23 92.48 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 3.3 mt -62.4 -44.93 89.35 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.902 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 59.8 Cg_exo -39.83 -39.67 2.24 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.799 2.333 . . . . 1.0 113.471 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.7 p -115.48 -31.29 5.95 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.066 0.46 . . . . 1.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.99 68.83 1.11 Allowed Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.815 -0.707 . . . . 1.0 112.974 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.4 mt -148.63 108.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.322 . . . . 1.0 110.997 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.409 ' HB2' ' HG2' ' A' ' 10' ' ' MET . . . -84.86 109.72 18.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.234 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.478 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.4 m-85 -88.57 142.26 27.85 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.774 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.85 30.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.939 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.12 147.2 6.6 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-O 120.713 0.292 . . . . 1.0 111.505 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 73.0 Cg_endo -76.69 -45.47 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.709 2.273 . . . . 1.0 112.324 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -61.47 -33.89 74.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.229 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.477 HG21 ' CD1' ' A' ' 18' ' ' PHE . 62.0 m -62.96 -34.43 77.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.058 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.1 mt -61.04 -44.6 97.15 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.641 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.673 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -62.66 -30.11 71.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.187 -0.915 . . . . 1.0 110.136 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 -34.92 61.48 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.15 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.717 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 84.3 t60 -75.12 -48.62 22.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.217 -0.901 . . . . 1.0 109.602 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -12.45 61.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.376 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -76.96 -55.38 5.51 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.306 -0.406 . . . . 1.0 112.017 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -141.67 10.83 2.05 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.875 0.694 . . . . 1.0 112.875 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.717 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -94.53 -72.47 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.636 -0.426 . . . . 1.0 111.146 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 106.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 1.0 110.806 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m 74.68 168.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -102.75 88.32 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.83 166.55 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.243 -0.884 . . . . 1.0 111.01 179.916 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.44 -0.264 . . . . 1.0 112.44 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.75 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER 67.54 -70.81 0.11 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.841 0.353 . . . . 1.0 111.021 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.4 OUTLIER -135.0 -177.7 4.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.81 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.58 -75.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -97.02 147.1 32.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.43 -168.93 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.53 2.154 . . . . 1.0 112.259 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.69 -44.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.417 ' NH2' HD21 ' A' ' 12' ' ' LEU . 12.3 ttp180 -98.55 149.24 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.593 ' CB ' HD11 ' A' ' 24' ' ' LEU . 11.2 p90 -125.4 92.58 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.1 mtt -163.05 121.17 2.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -89.94 88.67 7.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.817 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -65.11 -44.91 72.01 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.9 -179.79 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 58.7 Cg_exo -39.71 -37.51 1.47 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.857 2.371 . . . . 1.0 113.328 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.2 p -114.99 -31.05 6.2 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.003 0.43 . . . . 1.0 110.141 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.63 70.81 1.19 Allowed Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.821 -0.704 . . . . 1.0 113.041 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.9 mt -152.82 106.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 1.0 110.905 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 113.71 21.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.051 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.493 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.8 m-85 -88.25 155.23 19.85 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -85.62 14.41 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.367 0.506 . . . . 1.0 112.367 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -165.21 157.83 13.6 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 1.0 111.777 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 71.6 Cg_endo -77.1 -43.88 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.94 2.427 . . . . 1.0 112.156 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 m -59.14 -31.69 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.334 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -65.44 -34.8 79.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.133 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.593 HD11 ' CB ' ' A' ' 9' ' ' PHE . 5.6 mt -60.66 -44.62 96.23 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.554 178.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.589 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -62.65 -30.95 71.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.007 179.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.55 -34.72 60.75 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.072 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.682 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 79.2 t60 -74.57 -49.46 21.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.478 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -14.47 63.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.25 -0.886 . . . . 1.0 110.436 178.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -74.87 -54.61 6.97 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.271 -0.422 . . . . 1.0 112.122 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -139.39 7.15 2.36 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.934 0.716 . . . . 1.0 112.934 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.682 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -94.5 -75.68 0.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.183 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.76 119.08 5.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 1.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.0 m 45.26 -168.11 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.406 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -120.56 88.11 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -80.45 136.88 36.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.74 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.205 -0.902 . . . . 1.0 111.097 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.478 ' HA3' ' HB2' ' A' ' 7' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.464 -0.254 . . . . 1.0 112.464 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t -173.63 144.18 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.322 . . . . 1.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.2 tp 62.26 122.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.35 -70.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 135.02 72.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.96 151.9 45.65 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.504 2.136 . . . . 1.0 112.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HB2' ' HA3' ' A' ' 1' ' ' GLY . . . -157.31 33.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.06 164.6 38.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' HB3' HD11 ' A' ' 24' ' ' LEU . 2.4 p90 -155.02 82.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.15 123.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.36 91.11 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.507 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -71.77 -45.05 12.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.81 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 63.6 Cg_exo -40.09 -34.5 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.717 2.278 . . . . 1.0 113.281 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.5 p -115.49 -28.99 6.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.017 0.437 . . . . 1.0 110.242 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.48 67.38 1.28 Allowed Glycine 0 N--CA 1.439 -1.121 0 C-N-CA 120.88 -0.676 . . . . 1.0 112.943 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.8 mt -151.55 107.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 1.0 111.075 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.01 113.25 21.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.059 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 7.5 m-85 -92.26 140.89 29.16 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -85.75 29.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.827 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.18 146.82 6.39 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-O 120.751 0.31 . . . . 1.0 111.572 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.436 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 73.6 Cg_endo -76.36 -45.62 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.793 2.329 . . . . 1.0 112.322 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -61.39 -34.02 74.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.215 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -63.16 -34.66 78.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.063 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 5.2 mt -60.26 -44.71 95.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.345 0.593 . . . . 1.0 109.655 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -64.09 -29.76 70.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.206 -0.906 . . . . 1.0 110.092 179.217 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.33 -35.42 61.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.724 -0.671 . . . . 1.0 109.834 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.54 ' O ' ' HB2' ' A' ' 31' ' ' TYR . 79.2 t60 -74.34 -49.14 24.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.068 -0.969 . . . . 1.0 109.267 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -14.22 62.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.152 -0.931 . . . . 1.0 110.886 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -85.19 -46.02 11.47 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.715 0.635 . . . . 1.0 112.715 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -128.48 -8.02 5.19 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.23 0.826 . . . . 1.0 113.23 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.54 ' HB2' ' O ' ' A' ' 27' ' ' HIS . 5.2 m-85 -94.87 -84.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.661 -0.415 . . . . 1.0 111.363 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 111.05 1.55 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.913 0.387 . . . . 1.0 110.873 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.85 118.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -84.87 57.01 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.11 147.86 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.223 -0.894 . . . . 1.0 111.101 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.104 0 N-CA-C 112.5 -0.24 . . . . 1.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m 62.88 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.71 0.29 . . . . 1.0 110.967 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.38 -178.68 6.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.62 -72.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 152.04 63.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 123.22 9.64 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.566 2.178 . . . . 1.0 112.245 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.48 -53.13 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.096 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -110.85 171.63 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.665 ' HB3' HD11 ' A' ' 24' ' ' LEU . 2.7 p90 -136.21 98.23 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.05 122.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.792 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -88.98 88.79 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -62.66 -44.81 87.67 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.855 -0.611 . . . . 1.0 111.847 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 57.2 Cg_exo -39.75 -38.03 1.66 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.807 2.338 . . . . 1.0 113.439 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.7 p -115.45 -29.22 6.59 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.927 0.394 . . . . 1.0 110.216 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.13 69.01 1.25 Allowed Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.871 -0.68 . . . . 1.0 112.96 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.5 mt -151.39 107.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 1.0 110.978 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.86 112.67 20.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.214 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.513 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 9.5 m-85 -88.21 145.76 25.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -85.64 24.17 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.403 0.52 . . . . 1.0 112.403 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -165.14 147.32 6.64 Favored Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.71 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.471 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 7.7 Cg_exo -72.48 -46.65 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.97 2.447 . . . . 1.0 112.275 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.52 -32.81 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.596 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -35.7 82.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.253 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 9' ' ' PHE . 4.0 mt -60.03 -44.62 94.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.27 0.557 . . . . 1.0 109.646 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.652 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -62.57 -30.53 71.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.111 179.298 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.29 -34.89 61.34 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.119 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.629 ' HA ' ' HB2' ' A' ' 31' ' ' TYR . 85.5 t60 -75.01 -49.5 19.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.189 -0.914 . . . . 1.0 109.496 179.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.43 -13.11 62.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.39 -0.823 . . . . 1.0 110.218 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 25' ' ' GLU . . . -75.95 -54.31 7.07 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 112.239 0.459 . . . . 1.0 112.239 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -142.8 9.83 1.77 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.238 0.829 . . . . 1.0 113.238 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.629 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -94.39 -77.91 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.524 -0.47 . . . . 1.0 110.947 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 131.32 50.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 1.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.37 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -115.21 93.64 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -78.29 142.75 37.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.217 -0.897 . . . . 1.0 111.049 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_